7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide

C30H24N8O2 — CID 121260043

About 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide

7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide (PubChem CID 121260043) has the molecular formula C30H24N8O2 and a molecular weight of 528.58 g/mol. Its IUPAC name is 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide
• PubChem CID: 121260043
• Molecular Formula: C30H24N8O2
• Molecular Weight: 528.58 g/mol
• Exact Mass: 528.20
• IUPAC Name: 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide
• SMILES: C[C@@H](NC(=O)c1c(N)ncc2cccnc12)c1cc2ccc(C#Cc3cnn(C)c3)n2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C30H24N8O2/c1-19(35-29(39)26-27-21(7-6-14-32-27)17-33-28(26)31)25-15-24-13-12-23(11-10-20-16-34-36(2)18-20)37(24)30(40)38(25)22-8-4-3-5-9-22/h3-9,12-19H,1-2H3,(H2,31,33)(H,35,39)/t19-/m1/s1
• InChIKey: FVMXVZZISHXYEN-LJQANCHMSA-N
• XLogP: 3.24
• TPSA: 125.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.58
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The IUPAC name of 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide (CID 121260043) is 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide.

What is the SMILES notation for 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The canonical SMILES for 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide is C[C@@H](NC(=O)c1c(N)ncc2cccnc12)c1cc2ccc(C#Cc3cnn(C)c3)n2c(=O)n1-c1ccccc1.

What is the InChIKey of 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The InChIKey is FVMXVZZISHXYEN-LJQANCHMSA-N. The full InChI is InChI=1S/C30H24N8O2/c1-19(35-29(39)26-27-21(7-6-14-32-27)17-33-28(26)31)25-15-24-13-12-23(11-10-20-16-34-36(2)18-20)37(24)30(40)38(25)22-8-4-3-5-9-22/h3-9,12-19H,1-2H3,(H2,31,33)(H,35,39)/t19-/m1/s1.

What are the key properties of 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide has a molecular weight of 528.58 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 121260043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).