2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H26N8O2 — CID 118032225

About 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118032225) has the molecular formula C30H26N8O2 and a molecular weight of 530.59 g/mol. Its IUPAC name is 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118032225
• Molecular Formula: C30H26N8O2
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.22
• IUPAC Name: 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn2cccnc2c1C(=O)NC(C)c1nc2cccc(/C=C/c3ccn(C)n3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C30H26N8O2/c1-19-25(28-31-16-8-17-37(28)34-19)29(39)32-20(2)27-33-24-12-7-9-21(13-14-22-15-18-36(3)35-22)26(24)30(40)38(27)23-10-5-4-6-11-23/h4-18,20H,1-3H3,(H,32,39)/b14-13+
• InChIKey: WHKSPFRTHQUPCV-BUHFOSPRSA-N
• XLogP: 4.13
• TPSA: 112.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.59
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118032225) is 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NC(C)c1nc2cccc(/C=C/c3ccn(C)n3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WHKSPFRTHQUPCV-BUHFOSPRSA-N. The full InChI is InChI=1S/C30H26N8O2/c1-19-25(28-31-16-8-17-37(28)34-19)29(39)32-20(2)27-33-24-12-7-9-21(13-14-22-15-18-36(3)35-22)26(24)30(40)38(27)23-10-5-4-6-11-23/h4-18,20H,1-3H3,(H,32,39)/b14-13+.

What are the key properties of 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 530.59 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118032225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).