N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C102H85Cl4N21O10S — CID 160957849

IUPACN-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2c([C@H](C)NC(=O)c3c(C)nn4cccnc34)cc3cccc(Cl)c3c2=O)cc1.Cc1cccc(-n2c([C@H](C)NC(=O)c3c(C)nn4cccnc34)cc3cccc(Cl)c3c2=O)c1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(S(C)(=O)=O)c1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C26H22ClN5O4S.2C26H22ClN5O2.C24H19ClN6O2/c1-15(29-25(33)22-16(2)30-31-12-6-11-28-24(22)31)21-13-17-7-4-10-20(27)23(17)26(34)32(21)18-8-5-9-19(14-18)37(3,35)36;1-15-7-4-9-19(13-15)32-21(14-18-8-5-10-20(27)23(18)26(32)34)16(2)29-25(33)22-17(3)30-31-12-6-11-28-24(22)31;1-15-8-10-19(11-9-15)32-21(14-18-6-4-7-20(27)23(18)26(32)34)16(2)29-25(33)22-17(3)30-31-13-5-12-28-24(22)31;1-14(28-23(32)20-15(2)29-30-11-5-10-27-22(20)30)19-12-16-6-3-8-18(25)21(16)24(33)31(19)17-7-4-9-26-13-17/h4-15H,1-3H3,(H,29,33);2*4-14,16H,1-3H3,(H,29,33);3-14H,1-2H3,(H,28,32)/t15-;2*16-;14-/m0000/s1
InChIKeySWPXUYRCWKHRCZ-BBLOCDJMSA-N
MW1938.82 g/mol
LogP17.36
Rot. Bonds17

About N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 160957849) has the molecular formula C102H85Cl4N21O10S and a molecular weight of 1938.82 g/mol. Its IUPAC name is N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID160957849
Molecular FormulaC102H85Cl4N21O10S
Molecular Weight1938.82 g/mol
Exact Mass1935.53
IUPAC NameN-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2c([C@H](C)NC(=O)c3c(C)nn4cccnc34)cc3cccc(Cl)c3c2=O)cc1.Cc1cccc(-n2c([C@H](C)NC(=O)c3c(C)nn4cccnc34)cc3cccc(Cl)c3c2=O)c1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(S(C)(=O)=O)c1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C26H22ClN5O4S.2C26H22ClN5O2.C24H19ClN6O2/c1-15(29-25(33)22-16(2)30-31-12-6-11-28-24(22)31)21-13-17-7-4-10-20(27)23(17)26(34)32(21)18-8-5-9-19(14-18)37(3,35)36;1-15-7-4-9-19(13-15)32-21(14-18-8-5-10-20(27)23(18)26(32)34)16(2)29-25(33)22-17(3)30-31-12-6-11-28-24(22)31;1-15-8-10-19(11-9-15)32-21(14-18-6-4-7-20(27)23(18)26(32)34)16(2)29-25(33)22-17(3)30-31-13-5-12-28-24(22)31;1-14(28-23(32)20-15(2)29-30-11-5-10-27-22(20)30)19-12-16-6-3-8-18(25)21(16)24(33)31(19)17-7-4-9-26-13-17/h4-15H,1-3H3,(H,29,33);2*4-14,16H,1-3H3,(H,29,33);3-14H,1-2H3,(H,28,32)/t15-;2*16-;14-/m0000/s1
InChIKeySWPXUYRCWKHRCZ-BBLOCDJMSA-N
XLogP17.36
TPSA372.19 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.82
LogP ≤ 517.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118002658
8-chloro-3-[(1S)-1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethenylamino]ethyl]-2-phenylisoquinolin-1-one;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-ethylsulfonylphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylsulfonylphenyl)pyrazine-2-carboxamide;3,5-dimethyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(trifluoromethyl)isoquinolin-3-yl]ethyl]pyrazine-2-carboxamide
CID 157977737
[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-chloro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylsulfinylphenyl)methanone
CID 158373128
N-[(1S)-1-[8-chloro-2-(3,4-difluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(trifluoromethyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159678309
[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4,6-dichloro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylsulfinylphenyl)methanone
CID 160049309
2-amino-N-[(1S)-1-[8-chloro-2-(3-ethylsulfonylpropyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(dimethylsulfamoyl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylpropyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[3-(trifluoromethylsulfonyl)propyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
CID 161544403
8-chloro-3-[(1S)-1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethenylamino]ethyl]-2-phenylisoquinolin-1-one;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-ethylsulfonylphenyl)-3-methylpyrazine-2-carboxamide;3,5-dimethyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(trifluoromethyl)isoquinolin-3-yl]ethyl]pyrazine-2-carboxamide
CID 161967112
2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89843440
N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122452130
N-[(1S)-1-[8-chloro-2-(4-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122452132
2-amino-N-[1-[2-[3-[2-amino-3-[1-[8-chloro-2-[2-(methanesulfonamido)phenyl]-1-oxoisoquinolin-3-yl]ethylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123302775
2-amino-N-[1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123525874

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 160957849) is N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2c([C@H](C)NC(=O)c3c(C)nn4cccnc34)cc3cccc(Cl)c3c2=O)cc1.Cc1cccc(-n2c([C@H](C)NC(=O)c3c(C)nn4cccnc34)cc3cccc(Cl)c3c2=O)c1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(S(C)(=O)=O)c1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1cccnc1.
What is the InChIKey of N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SWPXUYRCWKHRCZ-BBLOCDJMSA-N. The full InChI is InChI=1S/C26H22ClN5O4S.2C26H22ClN5O2.C24H19ClN6O2/c1-15(29-25(33)22-16(2)30-31-12-6-11-28-24(22)31)21-13-17-7-4-10-20(27)23(17)26(34)32(21)18-8-5-9-19(14-18)37(3,35)36;1-15-7-4-9-19(13-15)32-21(14-18-8-5-10-20(27)23(18)26(32)34)16(2)29-25(33)22-17(3)30-31-12-6-11-28-24(22)31;1-15-8-10-19(11-9-15)32-21(14-18-6-4-7-20(27)23(18)26(32)34)16(2)29-25(33)22-17(3)30-31-13-5-12-28-24(22)31;1-14(28-23(32)20-15(2)29-30-11-5-10-27-22(20)30)19-12-16-6-3-8-18(25)21(16)24(33)31(19)17-7-4-9-26-13-17/h4-15H,1-3H3,(H,29,33);2*4-14,16H,1-3H3,(H,29,33);3-14H,1-2H3,(H,28,32)/t15-;2*16-;14-/m0000/s1.
What are the key properties of N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1938.82 g/mol, XLogP of 17.36, 17 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[8-chloro-2-(3-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(3-methylsulfonylphenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-pyridin-3-ylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 160957849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).