1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide

C25H29FN10O — CID 138588695

About 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide

1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide (PubChem CID 138588695) has the molecular formula C25H29FN10O and a molecular weight of 504.57 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide
• PubChem CID: 138588695
• Molecular Formula: C25H29FN10O
• Molecular Weight: 504.57 g/mol
• Exact Mass: 504.25
• IUPAC Name: 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide
• SMILES: CC(C)Nc1cncc(-c2cnc3cnc(NC(=O)c4cn(C5CCN(CCF)CC5)nn4)cc3c2)n1
• InChI: InChI=1S/C25H29FN10O/c1-16(2)30-24-14-27-12-21(31-24)18-9-17-10-23(29-13-20(17)28-11-18)32-25(37)22-15-36(34-33-22)19-3-6-35(7-4-19)8-5-26/h9-16,19H,3-8H2,1-2H3,(H,30,31)(H,29,32,37)
• InChIKey: VFONIACCLLXGNJ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 126.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.57
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide?

The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide (CID 138588695) is 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide.

What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide?

The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide is CC(C)Nc1cncc(-c2cnc3cnc(NC(=O)c4cn(C5CCN(CCF)CC5)nn4)cc3c2)n1.

What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide?

The InChIKey is VFONIACCLLXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN10O/c1-16(2)30-24-14-27-12-21(31-24)18-9-17-10-23(29-13-20(17)28-11-18)32-25(37)22-15-36(34-33-22)19-3-6-35(7-4-19)8-5-26/h9-16,19H,3-8H2,1-2H3,(H,30,31)(H,29,32,37).

What are the key properties of 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide?

1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide has a molecular weight of 504.57 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide is sourced from PubChem (CID 138588695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).