N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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

C122H142F6N20O10S5 — CID 162077843

IUPACN-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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
SMILESCc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCCCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)ccn1.Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CCCC4)CC3)c3cnccc3c2)cn1.Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C27H34N4O2S.C26H32N4O2S.C25H30N4O2S.2C22H23F3N4O2S/c1-19-14-22(15-20(2)29-19)23-16-21-8-11-28-18-26(21)27(17-23)30-24-9-12-31(13-10-24)34(32,33)25-6-4-3-5-7-25;1-18-13-21(14-19(2)28-18)22-15-20-7-10-27-17-25(20)26(16-22)29-23-8-11-30(12-9-23)33(31,32)24-5-3-4-6-24;1-18-6-7-20(16-27-18)21-14-19-8-11-26-17-24(19)25(15-21)28-22-9-12-29(13-10-22)32(30,31)23-4-2-3-5-23;1-15-10-16(3-7-27-15)18-11-17-2-6-26-13-20(17)21(12-18)28-19-4-8-29(9-5-19)32(30,31)14-22(23,24)25;1-15-2-3-17(12-27-15)18-10-16-4-7-26-13-20(16)21(11-18)28-19-5-8-29(9-6-19)32(30,31)14-22(23,24)25/h8,11,14-18,24-25,30H,3-7,9-10,12-13H2,1-2H3;7,10,13-17,23-24,29H,3-6,8-9,11-12H2,1-2H3;6-8,11,14-17,22-23,28H,2-5,9-10,12-13H2,1H3;2-3,6-7,10-13,19,28H,4-5,8-9,14H2,1H3;2-4,7,10-13,19,28H,5-6,8-9,14H2,1H3
InChIKeyZBYCTEYAUCVDLU-UHFFFAOYSA-N
MW2322.93 g/mol
LogP24.02
Rot. Bonds25

About N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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

N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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 (PubChem CID 162077843) has the molecular formula C122H142F6N20O10S5 and a molecular weight of 2322.93 g/mol. Its IUPAC name is N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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.

Molecular Properties

Compound NameN-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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
PubChem CID162077843
Molecular FormulaC122H142F6N20O10S5
Molecular Weight2322.93 g/mol
Exact Mass2320.97
IUPAC NameN-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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
SMILESCc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCCCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)ccn1.Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CCCC4)CC3)c3cnccc3c2)cn1.Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)cn1
InChIInChI=1S/C27H34N4O2S.C26H32N4O2S.C25H30N4O2S.2C22H23F3N4O2S/c1-19-14-22(15-20(2)29-19)23-16-21-8-11-28-18-26(21)27(17-23)30-24-9-12-31(13-10-24)34(32,33)25-6-4-3-5-7-25;1-18-13-21(14-19(2)28-18)22-15-20-7-10-27-17-25(20)26(16-22)29-23-8-11-30(12-9-23)33(31,32)24-5-3-4-6-24;1-18-6-7-20(16-27-18)21-14-19-8-11-26-17-24(19)25(15-21)28-22-9-12-29(13-10-22)32(30,31)23-4-2-3-5-23;1-15-10-16(3-7-27-15)18-11-17-2-6-26-13-20(17)21(12-18)28-19-4-8-29(9-5-19)32(30,31)14-22(23,24)25;1-15-2-3-17(12-27-15)18-10-16-4-7-26-13-20(16)21(11-18)28-19-5-8-29(9-6-19)32(30,31)14-22(23,24)25/h8,11,14-18,24-25,30H,3-7,9-10,12-13H2,1-2H3;7,10,13-17,23-24,29H,3-6,8-9,11-12H2,1-2H3;6-8,11,14-17,22-23,28H,2-5,9-10,12-13H2,1H3;2-3,6-7,10-13,19,28H,4-5,8-9,14H2,1H3;2-4,7,10-13,19,28H,5-6,8-9,14H2,1H3
InChIKeyZBYCTEYAUCVDLU-UHFFFAOYSA-N
XLogP24.02
TPSA375.95 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002322.93
LogP ≤ 524.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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 with MolForge

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Related Compounds

Bis(16,17-dimethyl-12,21-diazoniaheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene);tetrakis(trifluoromethanesulfonate)
CID 139092552
Acetonitrile;tetrakis(trifluoromethanesulfonate);bis(5,12,13-trimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene)
CID 139187109
bis(4-[(E)-2-(12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3,5,7,12,17(26),18,20,22,24-undecaen-7-yl)ethenyl]-N,N-dimethylaniline);tetrakis(trifluoromethanesulfonate);hydrate
CID 168330033
6-[2-(difluoromethyl)pyridin-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534706
N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)pyridin-3-yl]isoquinolin-8-amine
CID 59534718
N-(1-ethylsulfonylpiperidin-4-yl)-6-(4-fluoro-5-methyl-3-pyridinyl)isoquinolin-8-amine
CID 59534728
6-(5-fluoro-6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534741
6-(2,6-difluoro-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534773
N-(1-ethylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 59534799
6-(6-fluoro-2-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534801
6-[6-(difluoromethyl)pyridin-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534832
N-(1-methylsulfonylpiperidin-4-yl)-6-[6-(trifluoromethyl)pyridin-3-yl]isoquinolin-8-amine
CID 59534834

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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?
The IUPAC name of N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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 162077843) is N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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.
What is the SMILES notation for N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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?
The canonical SMILES for N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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 is Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CCCCC4)CC3)c3cnccc3c2)cc(C)n1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)ccn1.Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CCCC4)CC3)c3cnccc3c2)cn1.Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)cn1.
What is the InChIKey of N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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?
The InChIKey is ZBYCTEYAUCVDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2S.C26H32N4O2S.C25H30N4O2S.2C22H23F3N4O2S/c1-19-14-22(15-20(2)29-19)23-16-21-8-11-28-18-26(21)27(17-23)30-24-9-12-31(13-10-24)34(32,33)25-6-4-3-5-7-25;1-18-13-21(14-19(2)28-18)22-15-20-7-10-27-17-25(20)26(16-22)29-23-8-11-30(12-9-23)33(31,32)24-5-3-4-6-24;1-18-6-7-20(16-27-18)21-14-19-8-11-26-17-24(19)25(15-21)28-22-9-12-29(13-10-22)32(30,31)23-4-2-3-5-23;1-15-10-16(3-7-27-15)18-11-17-2-6-26-13-20(17)21(12-18)28-19-4-8-29(9-5-19)32(30,31)14-22(23,24)25;1-15-2-3-17(12-27-15)18-10-16-4-7-26-13-20(16)21(11-18)28-19-5-8-29(9-6-19)32(30,31)14-22(23,24)25/h8,11,14-18,24-25,30H,3-7,9-10,12-13H2,1-2H3;7,10,13-17,23-24,29H,3-6,8-9,11-12H2,1-2H3;6-8,11,14-17,22-23,28H,2-5,9-10,12-13H2,1H3;2-3,6-7,10-13,19,28H,4-5,8-9,14H2,1H3;2-4,7,10-13,19,28H,5-6,8-9,14H2,1H3.
What are the key properties of N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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?
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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 has a molecular weight of 2322.93 g/mol, XLogP of 24.02, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-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 is sourced from PubChem (CID 162077843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).