2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C31H33N7O2 — CID 144926915

About 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144926915) has the molecular formula C31H33N7O2 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 144926915
• Molecular Formula: C31H33N7O2
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.27
• IUPAC Name: 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(NC(=O)c1c(N)nn2c1NCC=C2)c1nc2cccc(/C=C/C3CCCCC3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C31H33N7O2/c1-20(34-30(39)26-27(32)36-37-19-9-18-33-29(26)37)28-35-24-15-8-12-22(17-16-21-10-4-2-5-11-21)25(24)31(40)38(28)23-13-6-3-7-14-23/h3,6-9,12-17,19-21,33H,2,4-5,10-11,18H2,1H3,(H2,32,36)(H,34,39)/b17-16+
• InChIKey: GWENFGQCTFQWQJ-WUKNDPDISA-N
• XLogP: 5.15
• TPSA: 119.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144926915) is 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2c1NCC=C2)c1nc2cccc(/C=C/C3CCCCC3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GWENFGQCTFQWQJ-WUKNDPDISA-N. The full InChI is InChI=1S/C31H33N7O2/c1-20(34-30(39)26-27(32)36-37-19-9-18-33-29(26)37)28-35-24-15-8-12-22(17-16-21-10-4-2-5-11-21)25(24)31(40)38(28)23-13-6-3-7-14-23/h3,6-9,12-17,19-21,33H,2,4-5,10-11,18H2,1H3,(H2,32,36)(H,34,39)/b17-16+.

What are the key properties of 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 535.65 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144926915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).