5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide

C24H27F2N5O2 — CID 175129827

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide (PubChem CID 175129827) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide
• PubChem CID: 175129827
• Molecular Formula: C24H27F2N5O2
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.21
• IUPAC Name: 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide
• SMILES: COC1CCC(NC(=O)n2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nc32)CC1
• InChI: InChI=1S/C24H27F2N5O2/c1-33-17-7-5-16(6-8-17)28-24(32)31-14-27-20-10-11-22(29-23(20)31)30-12-2-3-21(30)18-13-15(25)4-9-19(18)26/h4,9-11,13-14,16-17,21H,2-3,5-8,12H2,1H3,(H,28,32)
• InChIKey: PUJOVPWQKFJWRG-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.51
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide (CID 175129827) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide is COC1CCC(NC(=O)n2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nc32)CC1.

What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide?

The InChIKey is PUJOVPWQKFJWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c1-33-17-7-5-16(6-8-17)28-24(32)31-14-27-20-10-11-22(29-23(20)31)30-12-2-3-21(30)18-13-15(25)4-9-19(18)26/h4,9-11,13-14,16-17,21H,2-3,5-8,12H2,1H3,(H,28,32).

What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide?

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide is sourced from PubChem (CID 175129827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).