N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide

C25H23F3N8O — CID 58102964

About N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide (PubChem CID 58102964) has the molecular formula C25H23F3N8O and a molecular weight of 508.51 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide
• PubChem CID: 58102964
• Molecular Formula: C25H23F3N8O
• Molecular Weight: 508.51 g/mol
• Exact Mass: 508.19
• IUPAC Name: N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide
• SMILES: CN1CCc2c(ncn2-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)C1C(F)(F)F
• InChI: InChI=1S/C25H23F3N8O/c1-34-10-8-20-21(22(34)25(26,27)28)30-13-35(20)18-7-9-29-19(12-18)24(37)32-16-4-2-3-15(11-16)23-33-31-14-36(23)17-5-6-17/h2-4,7,9,11-14,17,22H,5-6,8,10H2,1H3,(H,32,37)
• InChIKey: OPARQLUIZUMIQR-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 93.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.51
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide (CID 58102964) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide is CN1CCc2c(ncn2-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)C1C(F)(F)F.

What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide?

The InChIKey is OPARQLUIZUMIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N8O/c1-34-10-8-20-21(22(34)25(26,27)28)30-13-35(20)18-7-9-29-19(12-18)24(37)32-16-4-2-3-15(11-16)23-33-31-14-36(23)17-5-6-17/h2-4,7,9,11-14,17,22H,5-6,8,10H2,1H3,(H,32,37).

What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide?

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide has a molecular weight of 508.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58102964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).