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

C29H24N8O2S — CID 145057067

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

7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 145057067) has the molecular formula C29H24N8O2S and a molecular weight of 548.63 g/mol. Its IUPAC name is 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
• PubChem CID: 145057067
• Molecular Formula: C29H24N8O2S
• Molecular Weight: 548.63 g/mol
• Exact Mass: 548.17
• IUPAC Name: 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
• SMILES: CCc1nc2scc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)ncc2cccnc12
• InChI: InChI=1S/C20H16N4OS.C9H8N4O/c1-3-17-22-19-18(20(25)24(17)16-7-5-4-6-8-16)15(13-26-19)10-9-14-11-21-23(2)12-14;10-8-6(9(11)14)7-5(4-13-8)2-1-3-12-7/h4-8,11-13H,3H2,1-2H3;1-4H,(H2,10,13)(H2,11,14)
• InChIKey: NNSATEXFGLEUPG-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 147.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.63
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-phenylthieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 145057067) is 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-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-phenylthieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one is CCc1nc2scc(C#Cc3cnn(C)c3)c2c(=O)n1-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-phenylthieno[2,3-d]pyrimidin-4-one?

The InChIKey is NNSATEXFGLEUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS.C9H8N4O/c1-3-17-22-19-18(20(25)24(17)16-7-5-4-6-8-16)15(13-26-19)10-9-14-11-21-23(2)12-14;10-8-6(9(11)14)7-5(4-13-8)2-1-3-12-7/h4-8,11-13H,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-phenylthieno[2,3-d]pyrimidin-4-one?

7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 548.63 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 10 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-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 145057067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).