[3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol

C71H83N9O8S3 — CID 157355898

IUPAC[3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol
SMILESCCCc1cccc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(CO)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cccc(CO)c3)cc3ccncc23)CC1
InChIInChI=1S/C25H31N3O2S.C24H27N3O3S.C22H25N3O3S/c1-3-6-19-7-5-8-20(15-19)22-16-21-9-12-26-18-24(21)25(17-22)27-23-10-13-28(14-11-23)31(29,30)4-2;28-16-17-2-1-3-18(12-17)20-13-19-6-9-25-15-23(19)24(14-20)26-21-7-10-27(11-8-21)31(29,30)22-4-5-22;1-29(27,28)25-9-6-20(7-10-25)24-22-13-19(12-18-5-8-23-14-21(18)22)17-4-2-3-16(11-17)15-26/h5,7-9,12,15-18,23,27H,3-4,6,10-11,13-14H2,1-2H3;1-3,6,9,12-15,21-22,26,28H,4-5,7-8,10-11,16H2;2-5,8,11-14,20,24,26H,6-7,9-10,15H2,1H3
InChIKeyBIBQRPJDFNVCGB-UHFFFAOYSA-N
MW1286.70 g/mol
LogP12.07
Rot. Bonds18

About [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol

[3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol (PubChem CID 157355898) has the molecular formula C71H83N9O8S3 and a molecular weight of 1286.70 g/mol. Its IUPAC name is [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol
PubChem CID157355898
Molecular FormulaC71H83N9O8S3
Molecular Weight1286.70 g/mol
Exact Mass1285.55
IUPAC Name[3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol
SMILESCCCc1cccc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(CO)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cccc(CO)c3)cc3ccncc23)CC1
InChIInChI=1S/C25H31N3O2S.C24H27N3O3S.C22H25N3O3S/c1-3-6-19-7-5-8-20(15-19)22-16-21-9-12-26-18-24(21)25(17-22)27-23-10-13-28(14-11-23)31(29,30)4-2;28-16-17-2-1-3-18(12-17)20-13-19-6-9-25-15-23(19)24(14-20)26-21-7-10-27(11-8-21)31(29,30)22-4-5-22;1-29(27,28)25-9-6-20(7-10-25)24-22-13-19(12-18-5-8-23-14-21(18)22)17-4-2-3-16(11-17)15-26/h5,7-9,12,15-18,23,27H,3-4,6,10-11,13-14H2,1-2H3;1-3,6,9,12-15,21-22,26,28H,4-5,7-8,10-11,16H2;2-5,8,11-14,20,24,26H,6-7,9-10,15H2,1H3
InChIKeyBIBQRPJDFNVCGB-UHFFFAOYSA-N
XLogP12.07
TPSA227.36 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001286.70
LogP ≤ 512.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol with MolForge

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Related Compounds

[4-[8-[(1-Ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorophenyl]methanol
CID 59535188
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine
CID 157253647
[3-[8-[(1-Cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol
CID 59535235
[3-[8-[(1-Methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol
CID 59535267
3-[4-[8-[(1-Ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol
CID 59535323
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[3-(methoxymethyl)phenyl]isoquinolin-8-amine
CID 59535330
[5-[8-[(1-Ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-3-pyridinyl]methanol
CID 67403283
[3-[8-[(1-Methylsulfanylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol
CID 89738484
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine
CID 157294221
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 157526495
N-(1-butylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158124651
6-(5-ethyl-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-ethyl-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-ethyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-ethyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-methylbenzonitrile
CID 158305494

Frequently Asked Questions

What is the IUPAC name of [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol?
The IUPAC name of [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol (CID 157355898) is [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol is CCCc1cccc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)c1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(CO)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cccc(CO)c3)cc3ccncc23)CC1.
What is the InChIKey of [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol?
The InChIKey is BIBQRPJDFNVCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S.C24H27N3O3S.C22H25N3O3S/c1-3-6-19-7-5-8-20(15-19)22-16-21-9-12-26-18-24(21)25(17-22)27-23-10-13-28(14-11-23)31(29,30)4-2;28-16-17-2-1-3-18(12-17)20-13-19-6-9-25-15-23(19)24(14-20)26-21-7-10-27(11-8-21)31(29,30)22-4-5-22;1-29(27,28)25-9-6-20(7-10-25)24-22-13-19(12-18-5-8-23-14-21(18)22)17-4-2-3-16(11-17)15-26/h5,7-9,12,15-18,23,27H,3-4,6,10-11,13-14H2,1-2H3;1-3,6,9,12-15,21-22,26,28H,4-5,7-8,10-11,16H2;2-5,8,11-14,20,24,26H,6-7,9-10,15H2,1H3.
What are the key properties of [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol?
[3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol has a molecular weight of 1286.70 g/mol, XLogP of 12.07, 18 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-propylphenyl)isoquinolin-8-amine;[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]methanol is sourced from PubChem (CID 157355898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).