2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide

C23H26ClN7O4S — CID 144824033

IUPAC2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide
SMILESCCc1cc2cccc(Cl)c2c(=O)n1C1CC(NS(C)(=O)=O)C1.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C16H19ClN2O3S.C7H7N5O/c1-3-12-7-10-5-4-6-14(17)15(10)16(20)19(12)13-8-11(9-13)18-23(2,21)22;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-7,11,13,18H,3,8-9H2,1-2H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeyAIEFIBLUSOWXKN-UHFFFAOYSA-N
MW532.03 g/mol
LogP1.88
Rot. Bonds5

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide (PubChem CID 144824033) has the molecular formula C23H26ClN7O4S and a molecular weight of 532.03 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide.

Molecular Properties

Compound Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide
PubChem CID144824033
Molecular FormulaC23H26ClN7O4S
Molecular Weight532.03 g/mol
Exact Mass531.15
IUPAC Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide
SMILESCCc1cc2cccc(Cl)c2c(=O)n1C1CC(NS(C)(=O)=O)C1.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C16H19ClN2O3S.C7H7N5O/c1-3-12-7-10-5-4-6-14(17)15(10)16(20)19(12)13-8-11(9-13)18-23(2,21)22;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-7,11,13,18H,3,8-9H2,1-2H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeyAIEFIBLUSOWXKN-UHFFFAOYSA-N
XLogP1.88
TPSA167.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.03
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-N-[(1S)-1-[8-chloro-2-[3-(methanesulfonamido)cyclobutyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118002664
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one
CID 144823958
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415656
2-amino-N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[(1S)-1-aminoethyl]-8-chloro-2-cyclohexylisoquinolin-1-one
CID 159423656
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-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-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-[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-(5-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824584
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-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

Frequently Asked Questions

What is the IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide?
The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide (CID 144824033) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide.
What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide?
The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide is CCc1cc2cccc(Cl)c2c(=O)n1C1CC(NS(C)(=O)=O)C1.NC(=O)c1c(N)nn2cccnc12.
What is the InChIKey of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide?
The InChIKey is AIEFIBLUSOWXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S.C7H7N5O/c1-3-12-7-10-5-4-6-14(17)15(10)16(20)19(12)13-8-11(9-13)18-23(2,21)22;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-7,11,13,18H,3,8-9H2,1-2H3;1-3H,(H2,8,11)(H2,9,13).
What are the key properties of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide?
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide has a molecular weight of 532.03 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide is sourced from PubChem (CID 144824033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).