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

C114H134N20O10S5 — CID 158305494

IUPAC6-(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
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3cc(C)cc(C#N)c3)cc3ccncc23)CC1.CCc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1.CCc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCc1cncc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)c1.CCc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1
InChIInChI=1S/C24H26N4O2S.2C23H28N4O2S.2C22H26N4O2S/c1-3-31(29,30)28-8-5-22(6-9-28)27-24-14-21(13-19-4-7-26-16-23(19)24)20-11-17(2)10-18(12-20)15-25;1-3-17-11-20(15-25-14-17)19-12-18-5-8-24-16-22(18)23(13-19)26-21-6-9-27(10-7-21)30(28,29)4-2;1-3-20-6-5-18(15-25-20)19-13-17-7-10-24-16-22(17)23(14-19)26-21-8-11-27(12-9-21)30(28,29)4-2;1-3-16-10-19(14-24-13-16)18-11-17-4-7-23-15-21(17)22(12-18)25-20-5-8-26(9-6-20)29(2,27)28;1-3-19-5-4-17(14-24-19)18-12-16-6-9-23-15-21(16)22(13-18)25-20-7-10-26(11-8-20)29(2,27)28/h4,7,10-14,16,22,27H,3,5-6,8-9H2,1-2H3;5,8,11-16,21,26H,3-4,6-7,9-10H2,1-2H3;5-7,10,13-16,21,26H,3-4,8-9,11-12H2,1-2H3;4,7,10-15,20,25H,3,5-6,8-9H2,1-2H3;4-6,9,12-15,20,25H,3,7-8,10-11H2,1-2H3
InChIKeyGNANMJXKOUDZDJ-UHFFFAOYSA-N
MW2104.79 g/mol
LogP19.87
Rot. Bonds27

About 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

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 (PubChem CID 158305494) has the molecular formula C114H134N20O10S5 and a molecular weight of 2104.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID158305494
Molecular FormulaC114H134N20O10S5
Molecular Weight2104.79 g/mol
Exact Mass2102.92
IUPAC Name6-(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
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3cc(C)cc(C#N)c3)cc3ccncc23)CC1.CCc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1.CCc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCc1cncc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)c1.CCc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1
InChIInChI=1S/C24H26N4O2S.2C23H28N4O2S.2C22H26N4O2S/c1-3-31(29,30)28-8-5-22(6-9-28)27-24-14-21(13-19-4-7-26-16-23(19)24)20-11-17(2)10-18(12-20)15-25;1-3-17-11-20(15-25-14-17)19-12-18-5-8-24-16-22(18)23(13-19)26-21-6-9-27(10-7-21)30(28,29)4-2;1-3-20-6-5-18(15-25-20)19-13-17-7-10-24-16-22(17)23(14-19)26-21-8-11-27(12-9-21)30(28,29)4-2;1-3-16-10-19(14-24-13-16)18-11-17-4-7-23-15-21(17)22(12-18)25-20-5-8-26(9-6-20)29(2,27)28;1-3-19-5-4-17(14-24-19)18-12-16-6-9-23-15-21(16)22(13-18)25-20-7-10-26(11-8-20)29(2,27)28/h4,7,10-14,16,22,27H,3,5-6,8-9H2,1-2H3;5,8,11-16,21,26H,3-4,6-7,9-10H2,1-2H3;5-7,10,13-16,21,26H,3-4,8-9,11-12H2,1-2H3;4,7,10-15,20,25H,3,5-6,8-9H2,1-2H3;4-6,9,12-15,20,25H,3,7-8,10-11H2,1-2H3
InChIKeyGNANMJXKOUDZDJ-UHFFFAOYSA-N
XLogP19.87
TPSA386.85 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002104.79
LogP ≤ 519.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

5-[8-[(1-Ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile
CID 45274654
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
2-Fluoro-5-[8-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534730
2-Fluoro-3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 59534738
6-(5-fluoro-6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534741
3-[8-[(1-Cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-fluorobenzonitrile
CID 59534766
4-[8-[(1-Cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile
CID 59534793
5-[8-[(1-Butylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile
CID 59534798
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
5-[8-[[1-(Cyclopropylmethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile
CID 59534808

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)N1CCC(Nc2cc(-c3cc(C)cc(C#N)c3)cc3ccncc23)CC1.CCc1ccc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)cn1.CCc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.CCc1cncc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c3cnccc3c2)c1.CCc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.
What is the InChIKey of 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?
The InChIKey is GNANMJXKOUDZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.2C23H28N4O2S.2C22H26N4O2S/c1-3-31(29,30)28-8-5-22(6-9-28)27-24-14-21(13-19-4-7-26-16-23(19)24)20-11-17(2)10-18(12-20)15-25;1-3-17-11-20(15-25-14-17)19-12-18-5-8-24-16-22(18)23(13-19)26-21-6-9-27(10-7-21)30(28,29)4-2;1-3-20-6-5-18(15-25-20)19-13-17-7-10-24-16-22(17)23(14-19)26-21-8-11-27(12-9-21)30(28,29)4-2;1-3-16-10-19(14-24-13-16)18-11-17-4-7-23-15-21(17)22(12-18)25-20-5-8-26(9-6-20)29(2,27)28;1-3-19-5-4-17(14-24-19)18-12-16-6-9-23-15-21(16)22(13-18)25-20-7-10-26(11-8-20)29(2,27)28/h4,7,10-14,16,22,27H,3,5-6,8-9H2,1-2H3;5,8,11-16,21,26H,3-4,6-7,9-10H2,1-2H3;5-7,10,13-16,21,26H,3-4,8-9,11-12H2,1-2H3;4,7,10-15,20,25H,3,5-6,8-9H2,1-2H3;4-6,9,12-15,20,25H,3,7-8,10-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2104.79 g/mol, XLogP of 19.87, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158305494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).