2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H24N8O3 — CID 118003722

About 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118003722) has the molecular formula C29H24N8O3 and a molecular weight of 532.56 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118003722
• Molecular Formula: C29H24N8O3
• Molecular Weight: 532.56 g/mol
• Exact Mass: 532.20
• IUPAC Name: 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(CC(=O)c3cn[nH]c3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C29H24N8O3/c1-17(34-28(39)25-26(30)35-36-12-6-11-31-27(25)36)22-13-18-7-5-8-19(14-23(38)20-15-32-33-16-20)24(18)29(40)37(22)21-9-3-2-4-10-21/h2-13,15-17H,14H2,1H3,(H2,30,35)(H,32,33)(H,34,39)/t17-/m1/s1
• InChIKey: NNHNCZYOCFUTKD-QGZVFWFLSA-N
• XLogP: 3.26
• TPSA: 153.06 Ų
• H-Bond Donors: 3
• 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	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118003722) is 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(CC(=O)c3cn[nH]c3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NNHNCZYOCFUTKD-QGZVFWFLSA-N. The full InChI is InChI=1S/C29H24N8O3/c1-17(34-28(39)25-26(30)35-36-12-6-11-31-27(25)36)22-13-18-7-5-8-19(14-23(38)20-15-32-33-16-20)24(18)29(40)37(22)21-9-3-2-4-10-21/h2-13,15-17H,14H2,1H3,(H2,30,35)(H,32,33)(H,34,39)/t17-/m1/s1.

What are the key properties of 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 532.56 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1R)-1-[1-oxo-8-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118003722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).