3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile

C120H109N21O11S3 — CID 159529048

IUPAC3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile
SMILESCCS(=O)(=O)N1CCC(CNc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(COc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1.N#Cc1cccc(-c2cc(NC3CN(C(=O)C4CC4)C3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4ccnnc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(S(=O)(=O)c4ccnnc4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C26H21N5O2.C25H21N5O3S.C24H26N4O2S.C23H20N4O.C22H21N3O3S/c27-15-18-2-1-3-19(12-18)22-13-20-4-8-28-17-24(20)25(14-22)33-23-6-10-31(11-7-23)26(32)21-5-9-29-30-16-21;26-15-18-2-1-3-19(12-18)21-13-20-4-8-27-17-24(20)25(14-21)33-22-6-10-30(11-7-22)34(31,32)23-5-9-28-29-16-23;1-2-31(29,30)28-10-7-18(8-11-28)16-27-24-14-22(13-21-6-9-26-17-23(21)24)20-5-3-4-19(12-20)15-25;24-11-15-2-1-3-17(8-15)19-9-18-6-7-25-12-21(18)22(10-19)26-20-13-27(14-20)23(28)16-4-5-16;1-29(26,27)25-8-6-17(14-25)15-28-22-11-20(10-19-5-7-24-13-21(19)22)18-4-2-3-16(9-18)12-23/h1-5,8-9,12-14,16-17,23H,6-7,10-11H2;1-5,8-9,12-14,16-17,22H,6-7,10-11H2;3-6,9,12-14,17-18,27H,2,7-8,10-11,16H2,1H3;1-3,6-10,12,16,20,26H,4-5,13-14H2;2-5,7,9-11,13,17H,6,8,14-15H2,1H3
InChIKeyMCTHFQRAGQDCDP-UHFFFAOYSA-N
MW2117.53 g/mol
LogP19.53
Rot. Bonds24

About 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile

3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile (PubChem CID 159529048) has the molecular formula C120H109N21O11S3 and a molecular weight of 2117.53 g/mol. Its IUPAC name is 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile
PubChem CID159529048
Molecular FormulaC120H109N21O11S3
Molecular Weight2117.53 g/mol
Exact Mass2115.78
IUPAC Name3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile
SMILESCCS(=O)(=O)N1CCC(CNc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(COc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1.N#Cc1cccc(-c2cc(NC3CN(C(=O)C4CC4)C3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4ccnnc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(S(=O)(=O)c4ccnnc4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C26H21N5O2.C25H21N5O3S.C24H26N4O2S.C23H20N4O.C22H21N3O3S/c27-15-18-2-1-3-19(12-18)22-13-20-4-8-28-17-24(20)25(14-22)33-23-6-10-31(11-7-23)26(32)21-5-9-29-30-16-21;26-15-18-2-1-3-19(12-18)21-13-20-4-8-27-17-24(20)25(14-21)33-22-6-10-30(11-7-22)34(31,32)23-5-9-28-29-16-23;1-2-31(29,30)28-10-7-18(8-11-28)16-27-24-14-22(13-21-6-9-26-17-23(21)24)20-5-3-4-19(12-20)15-25;24-11-15-2-1-3-17(8-15)19-9-18-6-7-25-12-21(18)22(10-19)26-20-13-27(14-20)23(28)16-4-5-16;1-29(26,27)25-8-6-17(14-25)15-28-22-11-20(10-19-5-7-24-13-21(19)22)18-4-2-3-16(9-18)12-23/h1-5,8-9,12-14,16-17,23H,6-7,10-11H2;1-5,8-9,12-14,16-17,22H,6-7,10-11H2;3-6,9,12-14,17-18,27H,2,7-8,10-11,16H2,1H3;1-3,6-10,12,16,20,26H,4-5,13-14H2;2-5,7,9-11,13,17H,6,8,14-15H2,1H3
InChIKeyMCTHFQRAGQDCDP-UHFFFAOYSA-N
XLogP19.53
TPSA439.47 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.53
LogP ≤ 519.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile with MolForge

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Related Compounds

(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
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
N-[2-[3-[6-(3-cyanophenyl)isoquinolin-8-yl]oxyazetidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide;2-[4-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]thiophene-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-(pyridazine-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile
CID 158024759
3-[8-[[1-[(1-acetylazetidin-3-yl)methyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;5-[4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]piperidine-1-carbonyl]pyridine-2-carbonitrile;N-[2-[3-[6-(3-cyanophenyl)isoquinolin-8-yl]oxyazetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide;3-[8-[1-[5-(dimethylamino)-4-oxopentanoyl]azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-[4-(2-methylpyrazol-3-yl)-4-oxobutanoyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 158539358
2-[4-[8-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile;5-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]thiophene-2-carbonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-8-amine;3-[8-[1-[4-(2-methylpyrazol-3-yl)-4-oxobutanoyl]azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile
CID 158748069
N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 158906053
3-[8-[[1-[(1-acetylazetidin-3-yl)methyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;5-[4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]piperidine-1-carbonyl]pyridine-2-carbonitrile;N-[2-[3-[6-(3-cyanophenyl)isoquinolin-8-yl]oxyazetidin-1-yl]-2-oxoethyl]-2-(dimethylamino)acetamide;N-[2-[3-[6-(3-cyanophenyl)isoquinolin-8-yl]oxyazetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide;N-[2-[4-[6-(3-cyanophenyl)isoquinolin-8-yl]oxypiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 159200916
N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
CID 159635048
3-[8-[[1-(1-Acetylpiperidine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(azetidin-3-yloxy)isoquinolin-6-yl]benzonitrile;3-[8-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 159791431
3-[8-[[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;cyclopropyl-[3-[4-[[6-(3-methylphenyl)isoquinolin-8-yl]amino]piperidine-1-carbonyl]azetidin-1-yl]methanone;3-[8-[[1-[(3S)-6,6-dimethyl-4-methylsulfonylmorpholine-3-carbonyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylazetidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;prop-1-ene;(E)-4-[8-[1-[1-(pyridine-3-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]but-2-enenitrile
CID 160572089

Frequently Asked Questions

What is the IUPAC name of 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile?
The IUPAC name of 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile (CID 159529048) is 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile.
What is the SMILES notation for 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile?
The canonical SMILES for 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile is CCS(=O)(=O)N1CCC(CNc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(COc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1.N#Cc1cccc(-c2cc(NC3CN(C(=O)C4CC4)C3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4ccnnc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CCN(S(=O)(=O)c4ccnnc4)CC3)c3cnccc3c2)c1.
What is the InChIKey of 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile?
The InChIKey is MCTHFQRAGQDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2.C25H21N5O3S.C24H26N4O2S.C23H20N4O.C22H21N3O3S/c27-15-18-2-1-3-19(12-18)22-13-20-4-8-28-17-24(20)25(14-22)33-23-6-10-31(11-7-23)26(32)21-5-9-29-30-16-21;26-15-18-2-1-3-19(12-18)21-13-20-4-8-27-17-24(20)25(14-21)33-22-6-10-30(11-7-22)34(31,32)23-5-9-28-29-16-23;1-2-31(29,30)28-10-7-18(8-11-28)16-27-24-14-22(13-21-6-9-26-17-23(21)24)20-5-3-4-19(12-20)15-25;24-11-15-2-1-3-17(8-15)19-9-18-6-7-25-12-21(18)22(10-19)26-20-13-27(14-20)23(28)16-4-5-16;1-29(26,27)25-8-6-17(14-25)15-28-22-11-20(10-19-5-7-24-13-21(19)22)18-4-2-3-16(9-18)12-23/h1-5,8-9,12-14,16-17,23H,6-7,10-11H2;1-5,8-9,12-14,16-17,22H,6-7,10-11H2;3-6,9,12-14,17-18,27H,2,7-8,10-11,16H2,1H3;1-3,6-10,12,16,20,26H,4-5,13-14H2;2-5,7,9-11,13,17H,6,8,14-15H2,1H3.
What are the key properties of 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile?
3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile has a molecular weight of 2117.53 g/mol, XLogP of 19.53, 24 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[[1-(cyclopropanecarbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-(1-pyridazin-4-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 159529048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).