2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H26N8O2 — CID 144824257

About 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144824257) has the molecular formula C30H26N8O2 and a molecular weight of 530.59 g/mol. Its IUPAC name is 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 144824257
• Molecular Formula: C30H26N8O2
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.22
• IUPAC Name: 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccnc2c(C(=O)N[C@H](C)c3cc4cccc(/C=C/c5ccn[nH]5)c4c(=O)n3-c3ccccc3)c(N)nn12
• InChI: InChI=1S/C30H26N8O2/c1-18-13-15-32-28-26(27(31)36-38(18)28)29(39)34-19(2)24-17-21-8-6-7-20(11-12-22-14-16-33-35-22)25(21)30(40)37(24)23-9-4-3-5-10-23/h3-17,19H,1-2H3,(H2,31,36)(H,33,35)(H,34,39)/b12-11+/t19-/m1/s1
• InChIKey: INUMQYNGHLOEBE-TZZQJPOUSA-N
• XLogP: 4.31
• TPSA: 135.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.59
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144824257) is 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccnc2c(C(=O)N[C@H](C)c3cc4cccc(/C=C/c5ccn[nH]5)c4c(=O)n3-c3ccccc3)c(N)nn12.

What is the InChIKey of 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is INUMQYNGHLOEBE-TZZQJPOUSA-N. The full InChI is InChI=1S/C30H26N8O2/c1-18-13-15-32-28-26(27(31)36-38(18)28)29(39)34-19(2)24-17-21-8-6-7-20(11-12-22-14-16-33-35-22)25(21)30(40)37(24)23-9-4-3-5-10-23/h3-17,19H,1-2H3,(H2,31,36)(H,33,35)(H,34,39)/b12-11+/t19-/m1/s1.

What are the key properties of 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 530.59 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-methyl-N-[(1R)-1-[1-oxo-2-phenyl-8-[(E)-2-(1H-pyrazol-5-yl)ethenyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144824257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).