3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile

C32H29ClF2N6O2 — CID 172580934

IUPAC3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESN#Cc1cn(-c2cc(-c3ccc(F)cc3C(=O)N3CC(F)C3)cc(C3CC3)n2)c(=O)c2[nH]c(CN3CCCCC3)c(Cl)c12
InChIInChI=1S/C32H29ClF2N6O2/c33-29-26(17-39-8-2-1-3-9-39)38-30-28(29)20(13-36)14-41(32(30)43)27-11-19(10-25(37-27)18-4-5-18)23-7-6-21(34)12-24(23)31(42)40-15-22(35)16-40/h6-7,10-12,14,18,22,38H,1-5,8-9,15-17H2
InChIKeyIXHNABQBRGLYPU-UHFFFAOYSA-N
MW603.07 g/mol
LogP5.70
Rot. Bonds6

About 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile

3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile (PubChem CID 172580934) has the molecular formula C32H29ClF2N6O2 and a molecular weight of 603.07 g/mol. Its IUPAC name is 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
PubChem CID172580934
Molecular FormulaC32H29ClF2N6O2
Molecular Weight603.07 g/mol
Exact Mass602.20
IUPAC Name3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESN#Cc1cn(-c2cc(-c3ccc(F)cc3C(=O)N3CC(F)C3)cc(C3CC3)n2)c(=O)c2[nH]c(CN3CCCCC3)c(Cl)c12
InChIInChI=1S/C32H29ClF2N6O2/c33-29-26(17-39-8-2-1-3-9-39)38-30-28(29)20(13-36)14-41(32(30)43)27-11-19(10-25(37-27)18-4-5-18)23-7-6-21(34)12-24(23)31(42)40-15-22(35)16-40/h6-7,10-12,14,18,22,38H,1-5,8-9,15-17H2
InChIKeyIXHNABQBRGLYPU-UHFFFAOYSA-N
XLogP5.70
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.07
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-6-(piperidin-1-ylmethyl)-3H-isoindol-1-one
CID 172580982
2-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-6-(piperidin-1-ylmethyl)-3H-isoindol-1-one;ethane
CID 172580981
2-[2-cyclopropyl-6-[4-cyclopropyl-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]-4-pyridinyl]-5-fluoro-N,N-dimethylbenzamide
CID 172581039
6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide
CID 175664523
[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone
CID 172581072
4-[2-cyclopropyl-6-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-3-yl]-4-pyridinyl]-3-(1,4-dimethylpyrazol-3-yl)benzonitrile
CID 172608533
2-[[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(1-methylimidazol-2-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608716
6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608828
6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608879
azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 171315394
2-[(2S)-1-acetylpyrrolidin-2-yl]-5-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-7-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-4-one
CID 172608695
N-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1-(2-methylpropyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxamide
CID 176972470

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile (CID 172580934) is 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile is N#Cc1cn(-c2cc(-c3ccc(F)cc3C(=O)N3CC(F)C3)cc(C3CC3)n2)c(=O)c2[nH]c(CN3CCCCC3)c(Cl)c12.
What is the InChIKey of 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The InChIKey is IXHNABQBRGLYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClF2N6O2/c33-29-26(17-39-8-2-1-3-9-39)38-30-28(29)20(13-36)14-41(32(30)43)27-11-19(10-25(37-27)18-4-5-18)23-7-6-21(34)12-24(23)31(42)40-15-22(35)16-40/h6-7,10-12,14,18,22,38H,1-5,8-9,15-17H2.
What are the key properties of 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile has a molecular weight of 603.07 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile is sourced from PubChem (CID 172580934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).