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

C30H25N7O2S — CID 118032220

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

2-methyl-N-[1-[5-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118032220) has the molecular formula C30H25N7O2S and a molecular weight of 547.64 g/mol. Its IUPAC name is 2-methyl-N-[1-[5-[(E)-2-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118032220
• Molecular Formula: C30H25N7O2S
• Molecular Weight: 547.64 g/mol
• Exact Mass: 547.18
• IUPAC Name: 2-methyl-N-[1-[5-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc(/C=C/c2cccc3nc(C(C)NC(=O)c4c(C)nn5cccnc45)n(-c4ccccc4)c(=O)c23)cs1
• InChI: InChI=1S/C30H25N7O2S/c1-18-25(28-31-15-8-16-36(28)35-18)29(38)32-19(2)27-34-24-12-7-9-21(13-14-22-17-40-20(3)33-22)26(24)30(39)37(27)23-10-5-4-6-11-23/h4-17,19H,1-3H3,(H,32,38)/b14-13+
• InChIKey: OFUJDFQSKIIKND-BUHFOSPRSA-N
• XLogP: 5.16
• TPSA: 107.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.64
LogP ≤ 5	5.16
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-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118032220) is 2-methyl-N-[1-[5-[(E)-2-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(/C=C/c2cccc3nc(C(C)NC(=O)c4c(C)nn5cccnc45)n(-c4ccccc4)c(=O)c23)cs1.

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

The InChIKey is OFUJDFQSKIIKND-BUHFOSPRSA-N. The full InChI is InChI=1S/C30H25N7O2S/c1-18-25(28-31-15-8-16-36(28)35-18)29(38)32-19(2)27-34-24-12-7-9-21(13-14-22-17-40-20(3)33-22)26(24)30(39)37(27)23-10-5-4-6-11-23/h4-17,19H,1-3H3,(H,32,38)/b14-13+.

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

2-methyl-N-[1-[5-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 547.64 g/mol, XLogP of 5.16, 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-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118032220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).