5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C27H24ClF2N7O2 — CID 146172377

About 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146172377) has the molecular formula C27H24ClF2N7O2 and a molecular weight of 551.99 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 146172377
• Molecular Formula: C27H24ClF2N7O2
• Molecular Weight: 551.99 g/mol
• Exact Mass: 551.16
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(Cn2c(=O)n(-c3cnc4[nH]ccc4c3)c3ncccc32)CC1)c1cc(Cl)cnc1C(F)F
• InChI: InChI=1S/C27H24ClF2N7O2/c28-17-11-20(22(23(29)30)33-12-17)26(38)35-18-5-3-15(4-6-18)14-36-21-2-1-8-32-25(21)37(27(36)39)19-10-16-7-9-31-24(16)34-13-19/h1-2,7-13,15,18,23H,3-6,14H2,(H,31,34)(H,35,38)
• InChIKey: ZPDOTBCAVIMIME-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 110.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.99
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 146172377) is 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(Cn2c(=O)n(-c3cnc4[nH]ccc4c3)c3ncccc32)CC1)c1cc(Cl)cnc1C(F)F.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is ZPDOTBCAVIMIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF2N7O2/c28-17-11-20(22(23(29)30)33-12-17)26(38)35-18-5-3-15(4-6-18)14-36-21-2-1-8-32-25(21)37(27(36)39)19-10-16-7-9-31-24(16)34-13-19/h1-2,7-13,15,18,23H,3-6,14H2,(H,31,34)(H,35,38).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 551.99 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146172377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).