N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide

C22H20F3N7O2 — CID 172601597

About N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide

N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide (PubChem CID 172601597) has the molecular formula C22H20F3N7O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide
• PubChem CID: 172601597
• Molecular Formula: C22H20F3N7O2
• Molecular Weight: 471.44 g/mol
• Exact Mass: 471.16
• IUPAC Name: N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide
• SMILES: O=CNC1CC(OC(F)F)CC(n2c(-c3ccccc3F)nc3cnc(-c4ncn[nH]4)cc32)C1
• InChI: InChI=1S/C22H20F3N7O2/c23-16-4-2-1-3-15(16)21-30-18-9-26-17(20-27-10-29-31-20)8-19(18)32(21)13-5-12(28-11-33)6-14(7-13)34-22(24)25/h1-4,8-14,22H,5-7H2,(H,28,33)(H,27,29,31)
• InChIKey: YNDVCRJYTULWTP-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 110.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.44
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide?

The IUPAC name of N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide (CID 172601597) is N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide.

What is the SMILES notation for N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide?

The canonical SMILES for N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide is O=CNC1CC(OC(F)F)CC(n2c(-c3ccccc3F)nc3cnc(-c4ncn[nH]4)cc32)C1.

What is the InChIKey of N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide?

The InChIKey is YNDVCRJYTULWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O2/c23-16-4-2-1-3-15(16)21-30-18-9-26-17(20-27-10-29-31-20)8-19(18)32(21)13-5-12(28-11-33)6-14(7-13)34-22(24)25/h1-4,8-14,22H,5-7H2,(H,28,33)(H,27,29,31).

What are the key properties of N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide?

N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide has a molecular weight of 471.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethoxy)-5-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide is sourced from PubChem (CID 172601597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).