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

C26H32N10O — CID 138590950

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

N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 138590950) has the molecular formula C26H32N10O and a molecular weight of 500.61 g/mol. Its IUPAC name is N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
• PubChem CID: 138590950
• Molecular Formula: C26H32N10O
• Molecular Weight: 500.61 g/mol
• Exact Mass: 500.28
• IUPAC Name: N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
• SMILES: CC(C)Nc1cncc(-c2cc3cc(NC(=O)c4cn(C5CCN(C(C)C)CC5)nn4)ncc3cn2)n1
• InChI: InChI=1S/C26H32N10O/c1-16(2)30-25-14-27-13-22(31-25)21-9-18-10-24(29-12-19(18)11-28-21)32-26(37)23-15-36(34-33-23)20-5-7-35(8-6-20)17(3)4/h9-17,20H,5-8H2,1-4H3,(H,30,31)(H,29,32,37)
• InChIKey: SZFGRVRXKDCYFT-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 126.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.61
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide (CID 138590950) is N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide.

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

The canonical SMILES for N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide is CC(C)Nc1cncc(-c2cc3cc(NC(=O)c4cn(C5CCN(C(C)C)CC5)nn4)ncc3cn2)n1.

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

The InChIKey is SZFGRVRXKDCYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N10O/c1-16(2)30-25-14-27-13-22(31-25)21-9-18-10-24(29-12-19(18)11-28-21)32-26(37)23-15-36(34-33-23)20-5-7-35(8-6-20)17(3)4/h9-17,20H,5-8H2,1-4H3,(H,30,31)(H,29,32,37).

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

N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 500.61 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 138590950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).