7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide

C32H25N7O2 — CID 162097520

About 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide

7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide (PubChem CID 162097520) has the molecular formula C32H25N7O2 and a molecular weight of 539.60 g/mol. Its IUPAC name is 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide
• PubChem CID: 162097520
• Molecular Formula: C32H25N7O2
• Molecular Weight: 539.60 g/mol
• Exact Mass: 539.21
• IUPAC Name: 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide
• SMILES: Cc1ncc2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1
• InChI: InChI=1S/C32H25N7O2/c1-20-27(30-24(18-34-20)11-8-16-33-30)31(40)36-21(2)29-28(23-9-5-4-6-10-23)32(41)39-25(12-7-13-26(39)37-29)15-14-22-17-35-38(3)19-22/h4-13,16-19,21H,1-3H3,(H,36,40)/t21-/m0/s1
• InChIKey: FYMPLXOTTYEQON-NRFANRHFSA-N
• XLogP: 4.24
• TPSA: 107.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.60
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
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-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The IUPAC name of 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide (CID 162097520) is 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide.

What is the SMILES notation for 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The canonical SMILES for 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide is Cc1ncc2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1.

What is the InChIKey of 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The InChIKey is FYMPLXOTTYEQON-NRFANRHFSA-N. The full InChI is InChI=1S/C32H25N7O2/c1-20-27(30-24(18-34-20)11-8-16-33-30)31(40)36-21(2)29-28(23-9-5-4-6-10-23)32(41)39-25(12-7-13-26(39)37-29)15-14-22-17-35-38(3)19-22/h4-13,16-19,21H,1-3H3,(H,36,40)/t21-/m0/s1.

What are the key properties of 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide has a molecular weight of 539.60 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 162097520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).