6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide

C22H18ClF2N7O — CID 129219295

IUPAC6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(-c4cnn(CC(F)F)c4)c(Cl)c3c2)n1
InChIInChI=1S/C22H18ClF2N7O/c1-22(2,11-26)31-21(33)16-5-3-4-15(29-16)12-6-14-18(23)19(30-20(14)27-7-12)13-8-28-32(9-13)10-17(24)25/h3-9,17H,10H2,1-2H3,(H,27,30)(H,31,33)
InChIKeyCQXFXNMKXWRYTI-UHFFFAOYSA-N
MW469.88 g/mol
LogP4.44
Rot. Bonds6

About 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide

6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide (PubChem CID 129219295) has the molecular formula C22H18ClF2N7O and a molecular weight of 469.88 g/mol. Its IUPAC name is 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
PubChem CID129219295
Molecular FormulaC22H18ClF2N7O
Molecular Weight469.88 g/mol
Exact Mass469.12
IUPAC Name6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(-c4cnn(CC(F)F)c4)c(Cl)c3c2)n1
InChIInChI=1S/C22H18ClF2N7O/c1-22(2,11-26)31-21(33)16-5-3-4-15(29-16)12-6-14-18(23)19(30-20(14)27-7-12)13-8-28-32(9-13)10-17(24)25/h3-9,17H,10H2,1-2H3,(H,27,30)(H,31,33)
InChIKeyCQXFXNMKXWRYTI-UHFFFAOYSA-N
XLogP4.44
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide 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

N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129208835
6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide
CID 129186766
N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
CID 129186655
1-[3-[6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopropane-1-carbonitrile
CID 152895301
N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129186665
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 146424772
6-bromo-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 103890083
N-(1-cyanocyclopropyl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
CID 137355796
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]pyridine-2-carboxamide
CID 146437520
2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide
CID 79035909
N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129186689
6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1,1-dihydroxythietan-3-yl)pyridine-2-carboxamide
CID 137356230

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide (CID 129219295) is 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide is CC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(-c4cnn(CC(F)F)c4)c(Cl)c3c2)n1.
What is the InChIKey of 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide?
The InChIKey is CQXFXNMKXWRYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N7O/c1-22(2,11-26)31-21(33)16-5-3-4-15(29-16)12-6-14-18(23)19(30-20(14)27-7-12)13-8-28-32(9-13)10-17(24)25/h3-9,17H,10H2,1-2H3,(H,27,30)(H,31,33).
What are the key properties of 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide?
6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide has a molecular weight of 469.88 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 129219295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).