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

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

2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118004242) has the molecular formula C30H28N8O3 and a molecular weight of 548.61 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	118004242
Molecular Formula	C30H28N8O3
Molecular Weight	548.61 g/mol
Exact Mass	548.23
IUPAC Name	2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#CCN3CCOCC3)c2c(=O)n1-c1ccccc1
InChI	InChI=1S/C30H28N8O3/c1-20(33-29(39)25-26(31)35-37-15-7-13-32-28(25)37)27-34-23-12-5-8-21(9-6-14-36-16-18-41-19-17-36)24(23)30(40)38(27)22-10-3-2-4-11-22/h2-5,7-8,10-13,15,20H,14,16-19H2,1H3,(H2,31,35)(H,33,39)/t20-/m1/s1
InChIKey	GXMOIPQXQSRGQA-HXUWFJFHSA-N
XLogP	2.19
TPSA	132.67 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	5
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.61
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118004242) is 2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#CCN3CCOCC3)c2c(=O)n1-c1ccccc1.

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

The InChIKey is GXMOIPQXQSRGQA-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H28N8O3/c1-20(33-29(39)25-26(31)35-37-15-7-13-32-28(25)37)27-34-23-12-5-8-21(9-6-14-36-16-18-41-19-17-36)24(23)30(40)38(27)22-10-3-2-4-11-22/h2-5,7-8,10-13,15,20H,14,16-19H2,1H3,(H2,31,35)(H,33,39)/t20-/m1/s1.

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

2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 548.61 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118004242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).