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

C27H26N8O3 — CID 123697313

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

2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123697313) has the molecular formula C27H26N8O3 and a molecular weight of 510.56 g/mol. Its IUPAC name is 2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 123697313
• Molecular Formula: C27H26N8O3
• Molecular Weight: 510.56 g/mol
• Exact Mass: 510.21
• IUPAC Name: 2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(N3CCOCC3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C27H26N8O3/c1-17(30-26(36)22-23(28)32-34-12-6-11-29-25(22)34)24-31-19-9-5-10-20(33-13-15-38-16-14-33)21(19)27(37)35(24)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H2,28,32)(H,30,36)
• InChIKey: LJBQAKDOBGDZAE-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 132.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.56
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123697313) is 2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(N3CCOCC3)c2c(=O)n1-c1ccccc1.

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

The InChIKey is LJBQAKDOBGDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O3/c1-17(30-26(36)22-23(28)32-34-12-6-11-29-25(22)34)24-31-19-9-5-10-20(33-13-15-38-16-14-33)21(19)27(37)35(24)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H2,28,32)(H,30,36).

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

2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 510.56 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123697313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).