2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one

C26H25ClN6O2 — CID 144823958

IUPAC2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1CCc1ccccc1.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C19H18ClNO.C7H7N5O/c1-2-16-13-15-9-6-10-17(20)18(15)19(22)21(16)12-11-14-7-4-3-5-8-14;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10,13H,2,11-12H2,1H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeyXOPWOCGCCKVLFU-UHFFFAOYSA-N
MW488.98 g/mol
LogP3.87
Rot. Bonds5

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one (PubChem CID 144823958) has the molecular formula C26H25ClN6O2 and a molecular weight of 488.98 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one
PubChem CID144823958
Molecular FormulaC26H25ClN6O2
Molecular Weight488.98 g/mol
Exact Mass488.17
IUPAC Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1CCc1ccccc1.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C19H18ClNO.C7H7N5O/c1-2-16-13-15-9-6-10-17(20)18(15)19(22)21(16)12-11-14-7-4-3-5-8-14;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10,13H,2,11-12H2,1H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeyXOPWOCGCCKVLFU-UHFFFAOYSA-N
XLogP3.87
TPSA121.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118002698
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415656
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide
CID 144824033
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824115
7-aminopyrazolo[1,5-b][1,2,4]triazine-8-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415648
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144824587
2-amino-N-[(1S)-1-[8-chloro-2-[2-(1H-imidazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118002668
2-amino-N-[1-[8-chloro-2-(2,3-dihydroxypropyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123631656
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(5-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824584
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-phenylisoquinolin-1-one
CID 144824595
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824687
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one
CID 144824131

Frequently Asked Questions

What is the IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one?
The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one (CID 144823958) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one.
What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one?
The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one is CCc1cc2cccc(Cl)c2c(=O)n1CCc1ccccc1.NC(=O)c1c(N)nn2cccnc12.
What is the InChIKey of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one?
The InChIKey is XOPWOCGCCKVLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO.C7H7N5O/c1-2-16-13-15-9-6-10-17(20)18(15)19(22)21(16)12-11-14-7-4-3-5-8-14;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10,13H,2,11-12H2,1H3;1-3H,(H2,8,11)(H2,9,13).
What are the key properties of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one?
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one has a molecular weight of 488.98 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one is sourced from PubChem (CID 144823958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).