N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide

C29H17F3N6O4S — CID 123405303

IUPACN-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cnc(-c4ccc[nH]c4=O)cn3)cc12
InChIInChI=1S/C29H17F3N6O4S/c30-16-3-1-4-17(10-16)43(41,42)38-22-7-6-21(31)25(26(22)32)27(39)20-12-37-28-19(20)9-15(11-36-28)23-13-35-24(14-34-23)18-5-2-8-33-29(18)40/h1-14,38H,(H,33,40)(H,36,37)
InChIKeyGCMKUJPAHAQPAH-UHFFFAOYSA-N
MW602.55 g/mol
LogP4.82
Rot. Bonds7

About N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide

N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide (PubChem CID 123405303) has the molecular formula C29H17F3N6O4S and a molecular weight of 602.55 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
PubChem CID123405303
Molecular FormulaC29H17F3N6O4S
Molecular Weight602.55 g/mol
Exact Mass602.10
IUPAC NameN-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cnc(-c4ccc[nH]c4=O)cn3)cc12
InChIInChI=1S/C29H17F3N6O4S/c30-16-3-1-4-17(10-16)43(41,42)38-22-7-6-21(31)25(26(22)32)27(39)20-12-37-28-19(20)9-15(11-36-28)23-13-35-24(14-34-23)18-5-2-8-33-29(18)40/h1-14,38H,(H,33,40)(H,36,37)
InChIKeyGCMKUJPAHAQPAH-UHFFFAOYSA-N
XLogP4.82
TPSA150.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.55
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Plx8394
CID 90116675
Plx4032
CID 53438230
2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide
CID 44199417
(3S)-N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 90116353
5-(2-cyclopropylpyrimidin-5-yl)-3-(3-((ethyl(methyl)sulfamoyl)amino)-2,6-difluorobenzoyl)-1H-pyrrolo(2,3-b)pyridine
CID 90116945
2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
2,6-difluoro-3-(propylsulfonylamino)-N-[2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
CID 44231244
N-[2-fluoro-3-[5-(2-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-1-phenylmethanesulfonamide
CID 146302404
2-(2,4-difluorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24783299
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784075
2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784332
N-[2-[4-(dimethylsulfamoylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784579

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide (CID 123405303) is N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide is O=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cnc(-c4ccc[nH]c4=O)cn3)cc12.
What is the InChIKey of N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is GCMKUJPAHAQPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17F3N6O4S/c30-16-3-1-4-17(10-16)43(41,42)38-22-7-6-21(31)25(26(22)32)27(39)20-12-37-28-19(20)9-15(11-36-28)23-13-35-24(14-34-23)18-5-2-8-33-29(18)40/h1-14,38H,(H,33,40)(H,36,37).
What are the key properties of N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 602.55 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[5-[5-(2-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 123405303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).