Name: Name:1h-pyrrolo[2,3-b]pyridine-5-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Brand: Angene
SKU: AG00HWXK
Rating: 90 (10 reviews)

1h-pyrrolo[2,3-b]pyridine-5-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No.:

1434747-57-5

Catalog Number:

AG00HWXK

Molecular Formula:

C21H22BN3O4S

Molecular Weight:

423.2931

Catalog Number:

AG00HWXK

Chemical Name:

1h-pyrrolo[2,3-b]pyridine-5-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS Number:

1434747-57-5

Molecular Formula:

C21H22BN3O4S

Molecular Weight:

423.2931

MDL Number:

MFCD28501982

IUPAC Name:

1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile

InChI:

InChI=1S/C21H22BN3O4S/c1-14-6-8-16(9-7-14)30(26,27)25-13-18(17-10-15(11-23)12-24-19(17)25)22-28-20(2,3)21(4,5)29-22/h6-10,12-13H,1-5H3

InChI Key:

YUFBAYPTNMUTFV-UHFFFAOYSA-N

SMILES:

N#Cc1cnc2c(c1)c(cn2S(=O)(=O)c1ccc(cc1)C)B1OC(C(O1)(C)C)(C)C

Complexity:

794

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

423.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

423.294g/mol

Monoisotopic Mass:

423.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: