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

C33H31ClF2N6O2 — CID 172581033

IUPAC3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESC[C@H]1CCCN(Cc2[nH]c3c(=O)n(-c4cc(-c5ccc(F)cc5C(=O)N5CC(F)C5)cc(C5CC5)n4)cc(C#N)c3c2Cl)C1
InChIInChI=1S/C33H31ClF2N6O2/c1-18-3-2-8-40(13-18)17-27-30(34)29-21(12-37)14-42(33(44)31(29)39-27)28-10-20(9-26(38-28)19-4-5-19)24-7-6-22(35)11-25(24)32(43)41-15-23(36)16-41/h6-7,9-11,14,18-19,23,39H,2-5,8,13,15-17H2,1H3/t18-/m0/s1
InChIKeyCWISDHDYZGKEDN-SFHVURJKSA-N
MW617.10 g/mol
LogP5.95
Rot. Bonds6

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

3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile (PubChem CID 172581033) has the molecular formula C33H31ClF2N6O2 and a molecular weight of 617.10 g/mol. Its IUPAC name is 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-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]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
PubChem CID172581033
Molecular FormulaC33H31ClF2N6O2
Molecular Weight617.10 g/mol
Exact Mass616.22
IUPAC Name3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESC[C@H]1CCCN(Cc2[nH]c3c(=O)n(-c4cc(-c5ccc(F)cc5C(=O)N5CC(F)C5)cc(C5CC5)n4)cc(C#N)c3c2Cl)C1
InChIInChI=1S/C33H31ClF2N6O2/c1-18-3-2-8-40(13-18)17-27-30(34)29-21(12-37)14-42(33(44)31(29)39-27)28-10-20(9-26(38-28)19-4-5-19)24-7-6-22(35)11-25(24)32(43)41-15-23(36)16-41/h6-7,9-11,14,18-19,23,39H,2-5,8,13,15-17H2,1H3/t18-/m0/s1
InChIKeyCWISDHDYZGKEDN-SFHVURJKSA-N
XLogP5.95
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.10
LogP ≤ 55.95
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]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

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]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-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]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile (CID 172581033) is 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-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]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-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]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile is C[C@H]1CCCN(Cc2[nH]c3c(=O)n(-c4cc(-c5ccc(F)cc5C(=O)N5CC(F)C5)cc(C5CC5)n4)cc(C#N)c3c2Cl)C1.
What is the InChIKey of 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The InChIKey is CWISDHDYZGKEDN-SFHVURJKSA-N. The full InChI is InChI=1S/C33H31ClF2N6O2/c1-18-3-2-8-40(13-18)17-27-30(34)29-21(12-37)14-42(33(44)31(29)39-27)28-10-20(9-26(38-28)19-4-5-19)24-7-6-22(35)11-25(24)32(43)41-15-23(36)16-41/h6-7,9-11,14,18-19,23,39H,2-5,8,13,15-17H2,1H3/t18-/m0/s1.
What are the key properties of 3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile has a molecular weight of 617.10 g/mol, XLogP of 5.95, 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]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile is sourced from PubChem (CID 172581033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).