2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile

C124H118F3N19O8S — CID 158842155

IUPAC2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
SMILESCS(=O)(=O)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1.N#CCc1cccc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)CC4CC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)CO)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C28H21F3N4O2.2C26H26N4O.C23H22N4O2.C21H23N3O2S/c29-28(30,31)26-5-4-21(16-34-26)27(36)35-10-7-23(8-11-35)37-25-14-22(13-20-6-9-33-17-24(20)25)19-3-1-2-18(12-19)15-32;27-10-6-18-2-1-3-20(14-18)22-15-21-7-11-28-17-24(21)25(16-22)29-23-8-12-30(13-9-23)26(31)19-4-5-19;27-16-19-2-1-3-20(12-19)22-14-21-6-9-28-17-24(21)25(15-22)29-23-7-10-30(11-8-23)26(31)13-18-4-5-18;24-13-16-2-1-3-17(10-16)19-11-18-4-7-25-14-21(18)22(12-19)26-20-5-8-27(9-6-20)23(29)15-28;1-27(25,26)24-11-8-19(9-12-24)23-21-14-18(16-5-3-2-4-6-16)13-17-7-10-22-15-20(17)21/h1-6,9,12-14,16-17,23H,7-8,10-11H2;1-3,7,11,14-17,19,23,29H,4-6,8-9,12-13H2;1-3,6,9,12,14-15,17-18,23,29H,4-5,7-8,10-11,13H2;1-4,7,10-12,14,20,26,28H,5-6,8-9,15H2;2-7,10,13-15,19,23H,8-9,11-12H2,1H3
InChIKeyIYJLPNUEJUQFIC-UHFFFAOYSA-N
MW2091.49 g/mol
LogP22.53
Rot. Bonds22

About 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile

2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile (PubChem CID 158842155) has the molecular formula C124H118F3N19O8S and a molecular weight of 2091.49 g/mol. Its IUPAC name is 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
PubChem CID158842155
Molecular FormulaC124H118F3N19O8S
Molecular Weight2091.49 g/mol
Exact Mass2089.91
IUPAC Name2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
SMILESCS(=O)(=O)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1.N#CCc1cccc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)CC4CC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)CO)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C28H21F3N4O2.2C26H26N4O.C23H22N4O2.C21H23N3O2S/c29-28(30,31)26-5-4-21(16-34-26)27(36)35-10-7-23(8-11-35)37-25-14-22(13-20-6-9-33-17-24(20)25)19-3-1-2-18(12-19)15-32;27-10-6-18-2-1-3-20(14-18)22-15-21-7-11-28-17-24(21)25(16-22)29-23-8-12-30(13-9-23)26(31)19-4-5-19;27-16-19-2-1-3-20(12-19)22-14-21-6-9-28-17-24(21)25(15-22)29-23-7-10-30(11-8-23)26(31)13-18-4-5-18;24-13-16-2-1-3-17(10-16)19-11-18-4-7-25-14-21(18)22(12-19)26-20-5-8-27(9-6-20)23(29)15-28;1-27(25,26)24-11-8-19(9-12-24)23-21-14-18(16-5-3-2-4-6-16)13-17-7-10-22-15-20(17)21/h1-6,9,12-14,16-17,23H,7-8,10-11H2;1-3,7,11,14-17,19,23,29H,4-6,8-9,12-13H2;1-3,6,9,12,14-15,17-18,23,29H,4-5,7-8,10-11,13H2;1-4,7,10-12,14,20,26,28H,5-6,8-9,15H2;2-7,10,13-15,19,23H,8-9,11-12H2,1H3
InChIKeyIYJLPNUEJUQFIC-UHFFFAOYSA-N
XLogP22.53
TPSA368.70 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.49
LogP ≤ 522.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile with MolForge

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Related Compounds

cis-(1R,2R)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]-N-(2,2-difluoroethyl)benzamide;2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)benzamide;N-[3-[3-cyano-4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]phenyl]cyclopropanecarboxamide
CID 157400074
(E)-4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]but-2-enenitrile;3-[8-[1-(2-hydroxyacetyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;prop-1-ene;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile
CID 157437326
3-[8-[(1-Cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[1-(2-hydroxyacetyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157677356
3-[8-[(1-Cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[1-(2-hydroxyacetyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile
CID 159074538
6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzamide
CID 159535453
CID 159747935
CID 159747935
cis-(1R,2R)-N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]-2-fluorocyclopropane-1-carboxamide;2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)benzamide;N-[3-[3-cyano-4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]phenyl]cyclopropanecarboxamide
CID 160768221
6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
CID 161072633
[3-[4-[[6-(3-chlorophenyl)isoquinolin-8-yl]amino]piperidine-1-carbonyl]azetidin-1-yl]-cyclopropylmethanone;[4-[[6-(3-chlorophenyl)isoquinolin-8-yl]amino]piperidin-1-yl]-[(3S)-6,6-dimethyl-4-methylsulfonylmorpholin-3-yl]methanone;3-[8-[[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylazetidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-[1-(pyridine-3-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 157142942
3-[8-[[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(azetidin-3-yloxy)isoquinolin-6-yl]benzonitrile;bis(prop-1-ene);(E)-4-[8-[[1-[(E)-4-(prop-2-enylideneamino)but-3-enoyl]piperidin-4-yl]amino]isoquinolin-6-yl]but-2-enenitrile;(E)-4-[8-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]but-2-enenitrile;3-[8-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 157360642
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
3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]-5-fluorobenzonitrile;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methoxybenzonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3,4-dimethoxyphenyl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methoxybenzonitrile;2-fluoro-5-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 158521287

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile?
The IUPAC name of 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile (CID 158842155) is 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile.
What is the SMILES notation for 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile?
The canonical SMILES for 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile is CS(=O)(=O)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1.N#CCc1cccc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)CC4CC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(C(=O)CO)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)c3cnccc3c2)c1.
What is the InChIKey of 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile?
The InChIKey is IYJLPNUEJUQFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O2.2C26H26N4O.C23H22N4O2.C21H23N3O2S/c29-28(30,31)26-5-4-21(16-34-26)27(36)35-10-7-23(8-11-35)37-25-14-22(13-20-6-9-33-17-24(20)25)19-3-1-2-18(12-19)15-32;27-10-6-18-2-1-3-20(14-18)22-15-21-7-11-28-17-24(21)25(16-22)29-23-8-12-30(13-9-23)26(31)19-4-5-19;27-16-19-2-1-3-20(12-19)22-14-21-6-9-28-17-24(21)25(15-22)29-23-7-10-30(11-8-23)26(31)13-18-4-5-18;24-13-16-2-1-3-17(10-16)19-11-18-4-7-25-14-21(18)22(12-19)26-20-5-8-27(9-6-20)23(29)15-28;1-27(25,26)24-11-8-19(9-12-24)23-21-14-18(16-5-3-2-4-6-16)13-17-7-10-22-15-20(17)21/h1-6,9,12-14,16-17,23H,7-8,10-11H2;1-3,7,11,14-17,19,23,29H,4-6,8-9,12-13H2;1-3,6,9,12,14-15,17-18,23,29H,4-5,7-8,10-11,13H2;1-4,7,10-12,14,20,26,28H,5-6,8-9,15H2;2-7,10,13-15,19,23H,8-9,11-12H2,1H3.
What are the key properties of 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile?
2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile has a molecular weight of 2091.49 g/mol, XLogP of 22.53, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;3-[8-[[1-(2-cyclopropylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-hydroxyacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-(1-methylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 158842155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).