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

C29H24N8O3 — CID 118032202

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

2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118032202) has the molecular formula C29H24N8O3 and a molecular weight of 532.56 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118032202
• Molecular Formula: C29H24N8O3
• Molecular Weight: 532.56 g/mol
• Exact Mass: 532.20
• IUPAC Name: 2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn2cccnc2c1C(=O)NC(C)c1nc2cccc(CC(=O)c3cn[nH]c3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C29H24N8O3/c1-17-24(27-30-12-7-13-36(27)35-17)28(39)33-18(2)26-34-22-11-6-8-19(14-23(38)20-15-31-32-16-20)25(22)29(40)37(26)21-9-4-3-5-10-21/h3-13,15-16,18H,14H2,1-2H3,(H,31,32)(H,33,39)
• InChIKey: AXVATVOVOKKRTQ-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 139.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.56
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118032202) is 2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NC(C)c1nc2cccc(CC(=O)c3cn[nH]c3)c2c(=O)n1-c1ccccc1.

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

The InChIKey is AXVATVOVOKKRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N8O3/c1-17-24(27-30-12-7-13-36(27)35-17)28(39)33-18(2)26-34-22-11-6-8-19(14-23(38)20-15-31-32-16-20)25(22)29(40)37(26)21-9-4-3-5-10-21/h3-13,15-16,18H,14H2,1-2H3,(H,31,32)(H,33,39).

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

2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 532.56 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-[4-oxo-5-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118032202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).