4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide

C24H20F3N7O — CID 66851969

About 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide

4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 66851969) has the molecular formula C24H20F3N7O and a molecular weight of 479.47 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 66851969
• Molecular Formula: C24H20F3N7O
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.17
• IUPAC Name: 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide
• SMILES: C[C@H](n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)n1)C(F)(F)F
• InChI: InChI=1S/C24H20F3N7O/c1-14(24(25,26)27)34-13-30-33-22(34)19-3-2-4-21(31-19)32-23(35)20-11-16(9-10-28-20)17-7-8-18(29-12-17)15-5-6-15/h2-4,7-15H,5-6H2,1H3,(H,31,32,35)/t14-/m0/s1
• InChIKey: GVUWMELDETZOSJ-AWEZNQCLSA-N
• XLogP: 5.05
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide (CID 66851969) is 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide is C[C@H](n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)n1)C(F)(F)F.

What is the InChIKey of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide?

The InChIKey is GVUWMELDETZOSJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H20F3N7O/c1-14(24(25,26)27)34-13-30-33-22(34)19-3-2-4-21(31-19)32-23(35)20-11-16(9-10-28-20)17-7-8-18(29-12-17)15-5-6-15/h2-4,7-15H,5-6H2,1H3,(H,31,32,35)/t14-/m0/s1.

What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide?

4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 479.47 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-cyclopropyl-3-pyridinyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 66851969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).