2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C32H34N8O2 — CID 153368701

About 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153368701) has the molecular formula C32H34N8O2 and a molecular weight of 562.68 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 153368701
• Molecular Formula: C32H34N8O2
• Molecular Weight: 562.68 g/mol
• Exact Mass: 562.28
• IUPAC Name: 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(N3CC4(CCN(C)CC4)C3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C32H34N8O2/c1-21(35-30(41)27-28(33)36-39-15-7-14-34-29(27)39)25-18-22-8-6-11-24(38-19-32(20-38)12-16-37(2)17-13-32)26(22)31(42)40(25)23-9-4-3-5-10-23/h3-11,14-15,18,21H,12-13,16-17,19-20H2,1-2H3,(H2,33,36)(H,35,41)/t21-/m1/s1
• InChIKey: UGCRFQPECYXGPY-OAQYLSRUSA-N
• XLogP: 3.64
• TPSA: 113.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.68
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153368701) is 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(N3CC4(CCN(C)CC4)C3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UGCRFQPECYXGPY-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H34N8O2/c1-21(35-30(41)27-28(33)36-39-15-7-14-34-29(27)39)25-18-22-8-6-11-24(38-19-32(20-38)12-16-37(2)17-13-32)26(22)31(42)40(25)23-9-4-3-5-10-23/h3-11,14-15,18,21H,12-13,16-17,19-20H2,1-2H3,(H2,33,36)(H,35,41)/t21-/m1/s1.

What are the key properties of 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 562.68 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1R)-1-[8-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153368701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).