Name: Name:5-((5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-N-(4-(trifluoromethyl)benzyl)pyridin-2-amine
Brand: Angene
SKU: AG00GU8H
Rating: 90 (10 reviews)

5-((5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-N-(4-(trifluoromethyl)benzyl)pyridin-2-amine

CAS No.:

923562-23-6

Catalog Number:

AG00GU8H

Molecular Formula:

C21H16ClF3N4

Molecular Weight:

416.8267

Catalog Number:

AG00GU8H

Chemical Name:

5-((5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-N-(4-(trifluoromethyl)benzyl)pyridin-2-amine

CAS Number:

923562-23-6

Molecular Formula:

C21H16ClF3N4

Molecular Weight:

416.8267

MDL Number:

MFCD29472260

IUPAC Name:

5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

InChI:

InChI=1S/C21H16ClF3N4/c22-17-8-18-15(11-28-20(18)29-12-17)7-14-3-6-19(27-10-14)26-9-13-1-4-16(5-2-13)21(23,24)25/h1-6,8,10-12H,7,9H2,(H,26,27)(H,28,29)

InChI Key:

MFXPJGJSKHZZGC-UHFFFAOYSA-N

SMILES:

Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(cc1)C(F)(F)F

Complexity:

527

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

416.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

416.832g/mol

Monoisotopic Mass:

416.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5