N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)

C84H69Cl2N15O11S3 — CID 161042664

IUPACN-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)
SMILESCc1cccc(-c2ccn3nc(C)c(C(=O)N[C@@H](C)c4cc5cccc(Cl)c5c(=O)n4-c4ccccc4)c3n2)c1.Cc1nc(-c2cnc(C)c(C(=O)N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)n2)cs1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(O)c2c(=O)n1-c1ccccc1.O=S=O.O=S=O
InChIInChI=1S/C32H26ClN5O2.C27H22ClN5O2S.C25H21N5O3.2O2S/c1-19-9-7-10-22(17-19)26-15-16-37-30(35-26)28(21(3)36-37)31(39)34-20(2)27-18-23-11-8-14-25(33)29(23)32(40)38(27)24-12-5-4-6-13-24;1-15(30-26(34)25-16(2)29-13-21(32-25)22-14-36-17(3)31-22)23-12-18-8-7-11-20(28)24(18)27(35)33(23)19-9-5-4-6-10-19;1-15(27-24(32)21-16(2)28-29-13-7-12-26-23(21)29)19-14-17-8-6-11-20(31)22(17)25(33)30(19)18-9-4-3-5-10-18;2*1-3-2/h4-18,20H,1-3H3,(H,34,39);4-15H,1-3H3,(H,30,34);3-15,31H,1-2H3,(H,27,32);;/t20-;2*15-;;/m000../s1
InChIKeyUBBSSEHXOSCLRN-VSUYEAHRSA-N
MW1631.68 g/mol
LogP14.33
Rot. Bonds14

About N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)

N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide) (PubChem CID 161042664) has the molecular formula C84H69Cl2N15O11S3 and a molecular weight of 1631.68 g/mol. Its IUPAC name is N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide).

Molecular Properties

Compound NameN-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)
PubChem CID161042664
Molecular FormulaC84H69Cl2N15O11S3
Molecular Weight1631.68 g/mol
Exact Mass1629.38
IUPAC NameN-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)
SMILESCc1cccc(-c2ccn3nc(C)c(C(=O)N[C@@H](C)c4cc5cccc(Cl)c5c(=O)n4-c4ccccc4)c3n2)c1.Cc1nc(-c2cnc(C)c(C(=O)N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)n2)cs1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(O)c2c(=O)n1-c1ccccc1.O=S=O.O=S=O
InChIInChI=1S/C32H26ClN5O2.C27H22ClN5O2S.C25H21N5O3.2O2S/c1-19-9-7-10-22(17-19)26-15-16-37-30(35-26)28(21(3)36-37)31(39)34-20(2)27-18-23-11-8-14-25(33)29(23)32(40)38(27)24-12-5-4-6-13-24;1-15(30-26(34)25-16(2)29-13-21(32-25)22-14-36-17(3)31-22)23-12-18-8-7-11-20(28)24(18)27(35)33(23)19-9-5-4-6-10-19;1-15(27-24(32)21-16(2)28-29-13-7-12-26-23(21)29)19-14-17-8-6-11-20(31)22(17)25(33)30(19)18-9-4-3-5-10-18;2*1-3-2/h4-18,20H,1-3H3,(H,34,39);4-15H,1-3H3,(H,30,34);3-15,31H,1-2H3,(H,27,32);;/t20-;2*15-;;/m000../s1
InChIKeyUBBSSEHXOSCLRN-VSUYEAHRSA-N
XLogP14.33
TPSA340.86 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001631.68
LogP ≤ 514.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide) with MolForge

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Related Compounds

3-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-5-methyl-1H-pyridin-2-one;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-3-fluoro-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-difluoro-5-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-fluoro-2-hydroxy-4-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 159255290
N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)
CID 160711658
N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(1,3-thiazol-4-yl)pyrazine-2-carboxamide;2-methyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2,8-diphenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-pyridin-4-ylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161728071
2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one;2-[1-(7-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[(7-aminoimidazo[4,5-b]pyridin-3-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one;5-chloro-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanylmethyl)-3-(2-methylphenyl)quinazolin-4-one
CID 161788602

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)?
The IUPAC name of N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide) (CID 161042664) is N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide).
What is the SMILES notation for N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)?
The canonical SMILES for N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide) is Cc1cccc(-c2ccn3nc(C)c(C(=O)N[C@@H](C)c4cc5cccc(Cl)c5c(=O)n4-c4ccccc4)c3n2)c1.Cc1nc(-c2cnc(C)c(C(=O)N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)n2)cs1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(O)c2c(=O)n1-c1ccccc1.O=S=O.O=S=O.
What is the InChIKey of N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)?
The InChIKey is UBBSSEHXOSCLRN-VSUYEAHRSA-N. The full InChI is InChI=1S/C32H26ClN5O2.C27H22ClN5O2S.C25H21N5O3.2O2S/c1-19-9-7-10-22(17-19)26-15-16-37-30(35-26)28(21(3)36-37)31(39)34-20(2)27-18-23-11-8-14-25(33)29(23)32(40)38(27)24-12-5-4-6-13-24;1-15(30-26(34)25-16(2)29-13-21(32-25)22-14-36-17(3)31-22)23-12-18-8-7-11-20(28)24(18)27(35)33(23)19-9-5-4-6-10-19;1-15(27-24(32)21-16(2)28-29-13-7-12-26-23(21)29)19-14-17-8-6-11-20(31)22(17)25(33)30(19)18-9-4-3-5-10-18;2*1-3-2/h4-18,20H,1-3H3,(H,34,39);4-15H,1-3H3,(H,30,34);3-15,31H,1-2H3,(H,27,32);;/t20-;2*15-;;/m000../s1.
What are the key properties of N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide)?
N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide) has a molecular weight of 1631.68 g/mol, XLogP of 14.33, 14 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methyl-5-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;N-[(1S)-1-(8-hydroxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(sulfur dioxide) is sourced from PubChem (CID 161042664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).