Name: Name:Methyl (4,6-diamino-2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamate
Brand: Angene
SKU: AG00HTVG
Rating: 90 (10 reviews)

Methyl (4,6-diamino-2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamate

CAS No.:

1350653-20-1

Catalog Number:

AG00HTVG

Molecular Formula:

C19H16F2N8O2

Molecular Weight:

426.3795

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

2mg

99%

1 week

United States

$182

- +

5mg

99%

1 week

United States

$279

- +

10mg

99%

1 week

United States

$362

- +

50mg

99%

1 week

United States

$960

- +

100mg

99%

1 week

United States

$1376

- +

Product Description

Catalog Number:

AG00HTVG

Chemical Name:

Methyl (4,6-diamino-2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamate

CAS Number:

1350653-20-1

Molecular Formula:

C19H16F2N8O2

Molecular Weight:

426.3795

MDL Number:

MFCD28502029

IUPAC Name:

methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate

InChI:

InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)

InChI Key:

QZFHIXARHDBPBY-UHFFFAOYSA-N

SMILES:

COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F

UNII:

LV66ADM269

Properties

Complexity:

622

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

426.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

426.388g/mol

Monoisotopic Mass:

426.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

147A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Discovery of the Soluble Guanylate Cyclase Stimulator Vericiguat (BAY 1021189) for the Treatment of Chronic Heart Failure.	Journal of medicinal chemistry 20170622
Novel sGC Stimulators and sGC Activators for the Treatment of Heart Failure.	Handbook of experimental pharmacology 20170101

Properties