6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide

C24H18ClN5O — CID 129186766

IUPAC6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide
SMILESN#CC1(CNC(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)c(Cl)c4c3)n2)CC1
InChIInChI=1S/C24H18ClN5O/c25-20-17-11-16(12-27-22(17)30-21(20)15-5-2-1-3-6-15)18-7-4-8-19(29-18)23(31)28-14-24(13-26)9-10-24/h1-8,11-12H,9-10,14H2,(H,27,30)(H,28,31)
InChIKeyIAADOOJJNQCNBK-UHFFFAOYSA-N
MW427.90 g/mol
LogP4.98
Rot. Bonds5

About 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide

6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide (PubChem CID 129186766) has the molecular formula C24H18ClN5O and a molecular weight of 427.90 g/mol. Its IUPAC name is 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide
PubChem CID129186766
Molecular FormulaC24H18ClN5O
Molecular Weight427.90 g/mol
Exact Mass427.12
IUPAC Name6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide
SMILESN#CC1(CNC(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)c(Cl)c4c3)n2)CC1
InChIInChI=1S/C24H18ClN5O/c25-20-17-11-16(12-27-22(17)30-21(20)15-5-2-1-3-6-15)18-7-4-8-19(29-18)23(31)28-14-24(13-26)9-10-24/h1-8,11-12H,9-10,14H2,(H,27,30)(H,28,31)
InChIKeyIAADOOJJNQCNBK-UHFFFAOYSA-N
XLogP4.98
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129208835
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
N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129198623
N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129186689
N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129186665
N-(1-cyanocyclopropyl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
CID 137355796
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
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 114751786
N-propyl-6-[6-(propylcarbamoyl)-2-pyridinyl]pyridine-2-carboxamide
CID 10980324
1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide
CID 65107488
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide (CID 129186766) is 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide is N#CC1(CNC(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)c(Cl)c4c3)n2)CC1.
What is the InChIKey of 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide?
The InChIKey is IAADOOJJNQCNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O/c25-20-17-11-16(12-27-22(17)30-21(20)15-5-2-1-3-6-15)18-7-4-8-19(29-18)23(31)28-14-24(13-26)9-10-24/h1-8,11-12H,9-10,14H2,(H,27,30)(H,28,31).
What are the key properties of 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide?
6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide has a molecular weight of 427.90 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[(1-cyanocyclopropyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129186766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).