8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one

C27H32N6O — CID 58094243

About 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one

8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one (PubChem CID 58094243) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one
• PubChem CID: 58094243
• Molecular Formula: C27H32N6O
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.26
• IUPAC Name: 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one
• SMILES: CC(C)Cn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1
• InChI: InChI=1S/C27H32N6O/c1-18(2)16-33-17-22(15-29-33)24-14-21-8-11-28-27(34)25(21)26(31-24)30-23-6-4-19(5-7-23)20-9-12-32(3)13-10-20/h4-8,11,14-15,17-18,20H,9-10,12-13,16H2,1-3H3,(H,28,34)(H,30,31)
• InChIKey: DYBBNYYXIQTDLW-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 78.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one (CID 58094243) is 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one is CC(C)Cn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1.

What is the InChIKey of 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one?

The InChIKey is DYBBNYYXIQTDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-18(2)16-33-17-22(15-29-33)24-14-21-8-11-28-27(34)25(21)26(31-24)30-23-6-4-19(5-7-23)20-9-12-32(3)13-10-20/h4-8,11,14-15,17-18,20H,9-10,12-13,16H2,1-3H3,(H,28,34)(H,30,31).

What are the key properties of 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one?

8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one has a molecular weight of 456.59 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).