N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C23H19F2N9O — CID 178121885

About N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 178121885) has the molecular formula C23H19F2N9O and a molecular weight of 475.46 g/mol. Its IUPAC name is N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 178121885
• Molecular Formula: C23H19F2N9O
• Molecular Weight: 475.46 g/mol
• Exact Mass: 475.17
• IUPAC Name: N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: Cc1nc(-c2ccc3nc(-c4cnc(C(F)F)c5cnc(NC(=O)C6CC6)cc45)nn3c2)nn1C
• InChI: InChI=1S/C23H19F2N9O/c1-11-28-21(31-33(11)2)13-5-6-18-30-22(32-34(18)10-13)16-9-27-19(20(24)25)15-8-26-17(7-14(15)16)29-23(35)12-3-4-12/h5-10,12,20H,3-4H2,1-2H3,(H,26,29,35)
• InChIKey: AZHIKUBKUDUWGH-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 115.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.46
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 178121885) is N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1nc(-c2ccc3nc(-c4cnc(C(F)F)c5cnc(NC(=O)C6CC6)cc45)nn3c2)nn1C.

What is the InChIKey of N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is AZHIKUBKUDUWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N9O/c1-11-28-21(31-33(11)2)13-5-6-18-30-22(32-34(18)10-13)16-9-27-19(20(24)25)15-8-26-17(7-14(15)16)29-23(35)12-3-4-12/h5-10,12,20H,3-4H2,1-2H3,(H,26,29,35).

What are the key properties of N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 475.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178121885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).