7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one

C32H26N6O3 — CID 145057435

About 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one

7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one (PubChem CID 145057435) has the molecular formula C32H26N6O3 and a molecular weight of 542.60 g/mol. Its IUPAC name is 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one.

Molecular Properties

• Compound Name: 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one
• PubChem CID: 145057435
• Molecular Formula: C32H26N6O3
• Molecular Weight: 542.60 g/mol
• Exact Mass: 542.21
• IUPAC Name: 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one
• SMILES: CCc1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1.NC(=O)c1c(N)ncc2cccnc12
• InChI: InChI=1S/C23H18N2O2.C9H8N4O/c1-3-19-21(17-8-5-4-6-9-17)23(26)22-18(10-7-11-20(22)27-19)13-12-16-14-24-25(2)15-16;10-8-6(9(11)14)7-5(4-13-8)2-1-3-12-7/h4-11,14-15H,3H2,1-2H3;1-4H,(H2,10,13)(H2,11,14)
• InChIKey: OBBBPOHEOBDOTC-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 142.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.60
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one?

The IUPAC name of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one (CID 145057435) is 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one.

What is the SMILES notation for 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one?

The canonical SMILES for 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one is CCc1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1.NC(=O)c1c(N)ncc2cccnc12.

What is the InChIKey of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one?

The InChIKey is OBBBPOHEOBDOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2.C9H8N4O/c1-3-19-21(17-8-5-4-6-9-17)23(26)22-18(10-7-11-20(22)27-19)13-12-16-14-24-25(2)15-16;10-8-6(9(11)14)7-5(4-13-8)2-1-3-12-7/h4-11,14-15H,3H2,1-2H3;1-4H,(H2,10,13)(H2,11,14).

What are the key properties of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one?

7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one has a molecular weight of 542.60 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one is sourced from PubChem (CID 145057435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).