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

C33H35N7O2 — CID 153368707

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

2-amino-N-[(1S)-1-[8-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153368707) has the molecular formula C33H35N7O2 and a molecular weight of 561.69 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[8-(7-methyl-7-azaspiro[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-[(1S)-1-[8-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 153368707
• Molecular Formula: C33H35N7O2
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.29
• IUPAC Name: 2-amino-N-[(1S)-1-[8-(7-methyl-7-azaspiro[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(C3CC4(CCN(C)CC4)C3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C33H35N7O2/c1-21(36-31(41)28-29(34)37-39-15-7-14-35-30(28)39)26-18-22-8-6-11-25(23-19-33(20-23)12-16-38(2)17-13-33)27(22)32(42)40(26)24-9-4-3-5-10-24/h3-11,14-15,18,21,23H,12-13,16-17,19-20H2,1-2H3,(H2,34,37)(H,36,41)/t21-/m0/s1
• InChIKey: HCCQACXRFDOKLC-NRFANRHFSA-N
• XLogP: 4.70
• TPSA: 110.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[8-(7-methyl-7-azaspiro[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-[(1S)-1-[8-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153368707) is 2-amino-N-[(1S)-1-[8-(7-methyl-7-azaspiro[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-[(1S)-1-[8-(7-methyl-7-azaspiro[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-[(1S)-1-[8-(7-methyl-7-azaspiro[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(C3CC4(CCN(C)CC4)C3)c2c(=O)n1-c1ccccc1.

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

The InChIKey is HCCQACXRFDOKLC-NRFANRHFSA-N. The full InChI is InChI=1S/C33H35N7O2/c1-21(36-31(41)28-29(34)37-39-15-7-14-35-30(28)39)26-18-22-8-6-11-25(23-19-33(20-23)12-16-38(2)17-13-33)27(22)32(42)40(26)24-9-4-3-5-10-24/h3-11,14-15,18,21,23H,12-13,16-17,19-20H2,1-2H3,(H2,34,37)(H,36,41)/t21-/m0/s1.

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

2-amino-N-[(1S)-1-[8-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 561.69 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S)-1-[8-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153368707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).