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

C24H23N7O2 — CID 144824375

IUPAC2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc2cccc(N)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H23N7O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-10,12-14,27H,11,25H2,1H3,(H2,26,29)(H,28,32)
InChIKeyYQEODMKXCKMRLR-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.74
Rot. Bonds4

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

2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144824375) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144824375
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc2cccc(N)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H23N7O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-10,12-14,27H,11,25H2,1H3,(H2,26,29)(H,28,32)
InChIKeyYQEODMKXCKMRLR-UHFFFAOYSA-N
XLogP2.74
TPSA132.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-[1-oxo-2-phenyl-8-(2-phenylethynyl)isoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144825002
2-amino-N-[1-[8-[2-(1-methylindol-3-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144824481
2-amino-N-[1-[8-(3,3-diethoxyprop-1-ynyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144927086
2-amino-N-[1-[1-oxo-2-phenyl-8-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)ethynyl]isoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168899827
2-amino-N-[1-[5-[(E)-2-cyclohexylethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144926915
2-amino-N-[1-[4-oxo-3-phenyl-5-(2-pyridin-4-ylethynyl)furo[2,3-d]pyrimidin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145057061
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-phenylisoquinolin-1-one
CID 144824029
2-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145057514
3-amino-5-bromo-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 137464819
2-amino-N-[1-[8-(methylamino)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123752585
2-amino-N-[(1S)-1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazole-4-carbonyl)amino]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158983444
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-(1-ethylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 144823985

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144824375) is 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc2cccc(N)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YQEODMKXCKMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-10,12-14,27H,11,25H2,1H3,(H2,26,29)(H,28,32).
What are the key properties of 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144824375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).