4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

C131H128N22O8S — CID 157394013

IUPAC4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCCNC(=O)N1CCC(Nc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)COc4ccccc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)NC4CCCCC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)Nc4ccccc4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C29H26N4O2.C28H31N5O.C28H25N5O.C24H25N5O.C22H21N3O3S/c30-18-21-5-4-6-22(15-21)24-16-23-9-12-31-19-27(23)28(17-24)32-25-10-13-33(14-11-25)29(34)20-35-26-7-2-1-3-8-26;2*29-18-20-5-4-6-21(15-20)23-16-22-9-12-30-19-26(22)27(17-23)31-25-10-13-33(14-11-25)28(34)32-24-7-2-1-3-8-24;1-2-27-24(30)29-10-7-21(8-11-29)28-23-14-20(13-19-6-9-26-16-22(19)23)18-5-3-4-17(12-18)15-25;1-29(26,27)25-9-6-20(7-10-25)28-22-13-19(12-18-5-8-24-15-21(18)22)17-4-2-3-16(11-17)14-23/h1-9,12,15-17,19,25,32H,10-11,13-14,20H2;4-6,9,12,15-17,19,24-25,31H,1-3,7-8,10-11,13-14H2,(H,32,34);1-9,12,15-17,19,25,31H,10-11,13-14H2,(H,32,34);3-6,9,12-14,16,21,28H,2,7-8,10-11H2,1H3,(H,27,30);2-5,8,11-13,15,20H,6-7,9-10H2,1H3
InChIKeyBMIWAWPYFULGHT-UHFFFAOYSA-N
MW2170.68 g/mol
LogP24.78
Rot. Bonds22

About 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (PubChem CID 157394013) has the molecular formula C131H128N22O8S and a molecular weight of 2170.68 g/mol. Its IUPAC name is 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
PubChem CID157394013
Molecular FormulaC131H128N22O8S
Molecular Weight2170.68 g/mol
Exact Mass2169.00
IUPAC Name4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
SMILESCCNC(=O)N1CCC(Nc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)COc4ccccc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)NC4CCCCC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)Nc4ccccc4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C29H26N4O2.C28H31N5O.C28H25N5O.C24H25N5O.C22H21N3O3S/c30-18-21-5-4-6-22(15-21)24-16-23-9-12-31-19-27(23)28(17-24)32-25-10-13-33(14-11-25)29(34)20-35-26-7-2-1-3-8-26;2*29-18-20-5-4-6-21(15-20)23-16-22-9-12-30-19-26(22)27(17-23)31-25-10-13-33(14-11-25)28(34)32-24-7-2-1-3-8-24;1-2-27-24(30)29-10-7-21(8-11-29)28-23-14-20(13-19-6-9-26-16-22(19)23)18-5-3-4-17(12-18)15-25;1-29(26,27)25-9-6-20(7-10-25)28-22-13-19(12-18-5-8-24-15-21(18)22)17-4-2-3-16(11-17)14-23/h1-9,12,15-17,19,25,32H,10-11,13-14,20H2;4-6,9,12,15-17,19,24-25,31H,1-3,7-8,10-11,13-14H2,(H,32,34);1-9,12,15-17,19,25,31H,10-11,13-14H2,(H,32,34);3-6,9,12-14,16,21,28H,2,7-8,10-11H2,1H3,(H,27,30);2-5,8,11-13,15,20H,6-7,9-10H2,1H3
InChIKeyBMIWAWPYFULGHT-UHFFFAOYSA-N
XLogP24.78
TPSA404.69 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002170.68
LogP ≤ 524.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 45275641
6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59535283
3-[8-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 45274862
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-thiophen-3-ylisoquinolin-8-amine;6-(3-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;2-[4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-pyridin-4-ylisoquinolin-8-amine
CID 161487260
CID 89018635
CID 89018635
3-[8-[[1-(3-cyanobenzoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534932
2-[4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]piperidin-1-yl]acetic acid
CID 67403874
3-[8-[[1-[2-(6-fluoro-2-pyridinyl)acetyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534940
3-[8-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 45274345
3-[8-[[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59535325
3-[8-[[1-(1,2-dihydropyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 70904083
3-[8-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 45274754

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The IUPAC name of 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (CID 157394013) is 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.
What is the SMILES notation for 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The canonical SMILES for 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is CCNC(=O)N1CCC(Nc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)COc4ccccc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)NC4CCCCC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)Nc4ccccc4)CC3)c3cnccc3c2)c1.
What is the InChIKey of 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
The InChIKey is BMIWAWPYFULGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2.C28H31N5O.C28H25N5O.C24H25N5O.C22H21N3O3S/c30-18-21-5-4-6-22(15-21)24-16-23-9-12-31-19-27(23)28(17-24)32-25-10-13-33(14-11-25)29(34)20-35-26-7-2-1-3-8-26;2*29-18-20-5-4-6-21(15-20)23-16-22-9-12-30-19-26(22)27(17-23)31-25-10-13-33(14-11-25)28(34)32-24-7-2-1-3-8-24;1-2-27-24(30)29-10-7-21(8-11-29)28-23-14-20(13-19-6-9-26-16-22(19)23)18-5-3-4-17(12-18)15-25;1-29(26,27)25-9-6-20(7-10-25)28-22-13-19(12-18-5-8-24-15-21(18)22)17-4-2-3-16(11-17)14-23/h1-9,12,15-17,19,25,32H,10-11,13-14,20H2;4-6,9,12,15-17,19,24-25,31H,1-3,7-8,10-11,13-14H2,(H,32,34);1-9,12,15-17,19,25,31H,10-11,13-14H2,(H,32,34);3-6,9,12-14,16,21,28H,2,7-8,10-11H2,1H3,(H,27,30);2-5,8,11-13,15,20H,6-7,9-10H2,1H3.
What are the key properties of 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?
4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile has a molecular weight of 2170.68 g/mol, XLogP of 24.78, 22 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-cyclohexylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-phenylpiperidine-1-carboxamide;3-[8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-phenoxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 157394013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).