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

C117H129F9N20O10S5 — CID 157253647

IUPACN-(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
SMILESCc1cc(-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)CC(F)(F)F)CC3)c3cnccc3c2)cn1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(CF)c3)cc3ccncc23)CC1
InChIInChI=1S/C27H34N4O2S.C23H24F2N4O2S.C23H25FN4O2S.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;24-23(25)18-10-17(12-27-13-18)16-9-15-3-6-26-14-21(15)22(11-16)28-19-4-7-29(8-5-19)32(30,31)20-1-2-20;24-12-16-9-19(14-26-13-16)18-10-17-3-6-25-15-22(17)23(11-18)27-20-4-7-28(8-5-20)31(29,30)21-1-2-21;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;3,6,9-14,19-20,23,28H,1-2,4-5,7-8H2;3,6,9-11,13-15,20-21,27H,1-2,4-5,7-8,12H2;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
InChIKeyAWPXPXNFURFQKR-UHFFFAOYSA-N
MW2306.77 g/mol
LogP22.94
Rot. Bonds27

About 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

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 (PubChem CID 157253647) has the molecular formula C117H129F9N20O10S5 and a molecular weight of 2306.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157253647
Molecular FormulaC117H129F9N20O10S5
Molecular Weight2306.77 g/mol
Exact Mass2304.87
IUPAC NameN-(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
SMILESCc1cc(-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)CC(F)(F)F)CC3)c3cnccc3c2)cn1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(CF)c3)cc3ccncc23)CC1
InChIInChI=1S/C27H34N4O2S.C23H24F2N4O2S.C23H25FN4O2S.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;24-23(25)18-10-17(12-27-13-18)16-9-15-3-6-26-14-21(15)22(11-16)28-19-4-7-29(8-5-19)32(30,31)20-1-2-20;24-12-16-9-19(14-26-13-16)18-10-17-3-6-25-15-22(17)23(11-18)27-20-4-7-28(8-5-20)31(29,30)21-1-2-21;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;3,6,9-14,19-20,23,28H,1-2,4-5,7-8H2;3,6,9-11,13-15,20-21,27H,1-2,4-5,7-8,12H2;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
InChIKeyAWPXPXNFURFQKR-UHFFFAOYSA-N
XLogP22.94
TPSA375.95 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002306.77
LogP ≤ 522.94
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-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 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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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)CC(F)(F)F)CC3)c3cnccc3c2)cn1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(C(F)F)c3)cc3ccncc23)CC1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3cncc(CF)c3)cc3ccncc23)CC1.
What is the InChIKey of 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?
The InChIKey is AWPXPXNFURFQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2S.C23H24F2N4O2S.C23H25FN4O2S.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;24-23(25)18-10-17(12-27-13-18)16-9-15-3-6-26-14-21(15)22(11-16)28-19-4-7-29(8-5-19)32(30,31)20-1-2-20;24-12-16-9-19(14-26-13-16)18-10-17-3-6-25-15-22(17)23(11-18)27-20-4-7-28(8-5-20)31(29,30)21-1-2-21;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;3,6,9-14,19-20,23,28H,1-2,4-5,7-8H2;3,6,9-11,13-15,20-21,27H,1-2,4-5,7-8,12H2;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-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?
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 has a molecular weight of 2306.77 g/mol, XLogP of 22.94, 27 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-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 is sourced from PubChem (CID 157253647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).