N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C23H27F3N4O2 — CID 177360387

About N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 177360387) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 177360387
• Molecular Formula: C23H27F3N4O2
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.21
• IUPAC Name: N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
• SMILES: C[C@@H](NC(=O)C1=CN2C(=NCN2C)C(C2(O)CCCCC2)=C1)c1cccc(C(F)F)c1F
• InChI: InChI=1S/C23H27F3N4O2/c1-14(16-7-6-8-17(19(16)24)20(25)26)28-22(31)15-11-18(23(32)9-4-3-5-10-23)21-27-13-29(2)30(21)12-15/h6-8,11-12,14,20,32H,3-5,9-10,13H2,1-2H3,(H,28,31)/t14-/m1/s1
• InChIKey: XMAZSLCMEKEVTM-CQSZACIVSA-N
• XLogP: 3.98
• TPSA: 68.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 177360387) is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is C[C@@H](NC(=O)C1=CN2C(=NCN2C)C(C2(O)CCCCC2)=C1)c1cccc(C(F)F)c1F.

What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is XMAZSLCMEKEVTM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-14(16-7-6-8-17(19(16)24)20(25)26)28-22(31)15-11-18(23(32)9-4-3-5-10-23)21-27-13-29(2)30(21)12-15/h6-8,11-12,14,20,32H,3-5,9-10,13H2,1-2H3,(H,28,31)/t14-/m1/s1.

What are the key properties of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 177360387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).