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

C122H113N21O10S3 — CID 158748069

IUPAC2-[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
SMILESCn1nccc1C(=O)CCC(=O)N1CC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1.N#CCc1ccc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)cc1.N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)s1.N#Cc1cccc(-c2cc(OC3CN(C(=O)c4ccnnc4)C3)c3cnccc3c2)c1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1
InChIInChI=1S/C27H23N5O3.C26H26N4O.C24H17N5O2.C23H25N3O2S.C22H22N4O2S2/c1-31-24(8-10-30-31)25(33)5-6-27(34)32-16-22(17-32)35-26-13-21(12-20-7-9-29-15-23(20)26)19-4-2-3-18(11-19)14-28;27-11-7-18-1-3-19(4-2-18)22-15-21-8-12-28-17-24(21)25(16-22)29-23-9-13-30(14-10-23)26(31)20-5-6-20;25-11-16-2-1-3-17(8-16)20-9-18-4-6-26-13-22(18)23(10-20)31-21-14-29(15-21)24(30)19-5-7-27-28-12-19;27-29(28,21-6-7-21)26-12-9-20(10-13-26)25-23-15-19(17-4-2-1-3-5-17)14-18-8-11-24-16-22(18)23;23-13-18-1-4-22(29-18)16-11-15-5-8-24-14-20(15)21(12-16)25-17-6-9-26(10-7-17)30(27,28)19-2-3-19/h2-4,7-13,15,22H,5-6,16-17H2,1H3;1-4,8,12,15-17,20,23,29H,5-7,9-10,13-14H2;1-10,12-13,21H,14-15H2;1-5,8,11,14-16,20-21,25H,6-7,9-10,12-13H2;1,4-5,8,11-12,14,17,19,25H,2-3,6-7,9-10H2
InChIKeyINCWXVAPIMIDBL-UHFFFAOYSA-N
MW2129.58 g/mol
LogP20.48
Rot. Bonds26

About 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

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 (PubChem CID 158748069) has the molecular formula C122H113N21O10S3 and a molecular weight of 2129.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158748069
Molecular FormulaC122H113N21O10S3
Molecular Weight2129.58 g/mol
Exact Mass2127.81
IUPAC Name2-[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
SMILESCn1nccc1C(=O)CCC(=O)N1CC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1.N#CCc1ccc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)cc1.N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)s1.N#Cc1cccc(-c2cc(OC3CN(C(=O)c4ccnnc4)C3)c3cnccc3c2)c1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1
InChIInChI=1S/C27H23N5O3.C26H26N4O.C24H17N5O2.C23H25N3O2S.C22H22N4O2S2/c1-31-24(8-10-30-31)25(33)5-6-27(34)32-16-22(17-32)35-26-13-21(12-20-7-9-29-15-23(20)26)19-4-2-3-18(11-19)14-28;27-11-7-18-1-3-19(4-2-18)22-15-21-8-12-28-17-24(21)25(16-22)29-23-9-13-30(14-10-23)26(31)20-5-6-20;25-11-16-2-1-3-17(8-16)20-9-18-4-6-26-13-22(18)23(10-20)31-21-14-29(15-21)24(30)19-5-7-27-28-12-19;27-29(28,21-6-7-21)26-12-9-20(10-13-26)25-23-15-19(17-4-2-1-3-5-17)14-18-8-11-24-16-22(18)23;23-13-18-1-4-22(29-18)16-11-15-5-8-24-14-20(15)21(12-16)25-17-6-9-26(10-7-17)30(27,28)19-2-3-19/h2-4,7-13,15,22H,5-6,16-17H2,1H3;1-4,8,12,15-17,20,23,29H,5-7,9-10,13-14H2;1-10,12-13,21H,14-15H2;1-5,8,11,14-16,20-21,25H,6-7,9-10,12-13H2;1,4-5,8,11-12,14,17,19,25H,2-3,6-7,9-10H2
InChIKeyINCWXVAPIMIDBL-UHFFFAOYSA-N
XLogP20.48
TPSA410.52 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002129.58
LogP ≤ 520.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 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 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
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
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
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
3-[8-[[1-[(1-acetylazetidin-3-yl)methyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;N-[2-[3-[1-[4-[(E)-2-(3-cyanophenyl)ethenyl]-3-pyridinyl]ethenoxy]azetidin-1-yl]-2-oxoethyl]-2-(dimethylamino)acetamide;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;N-[2-[4-[6-(3-cyanophenyl)isoquinolin-8-yl]oxypiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 160954602
5-[3-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]azetidine-1-carbonyl]pyridine-2-carbonitrile;4-[4-[[6-[(2E,4Z)-3-cyanohexa-2,4-dienyl]isoquinolin-8-yl]amino]piperidin-1-yl]sulfonylbenzonitrile;4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(furan-3-yl)isoquinolin-8-amine;3-[8-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile
CID 161313868
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
3-[8-[(1-Ethylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzonitrile;4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[1-(pyridazine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 161536813
5-[3-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]azetidine-1-carbonyl]pyridine-2-carbonitrile;3-[8-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;4-[8-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(furan-3-yl)isoquinolin-8-amine;3-[8-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile
CID 161537832

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nccc1C(=O)CCC(=O)N1CC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1.N#CCc1ccc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c3cnccc3c2)cc1.N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)s1.N#Cc1cccc(-c2cc(OC3CN(C(=O)c4ccnnc4)C3)c3cnccc3c2)c1.O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1.
What is the InChIKey of 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?
The InChIKey is INCWXVAPIMIDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3.C26H26N4O.C24H17N5O2.C23H25N3O2S.C22H22N4O2S2/c1-31-24(8-10-30-31)25(33)5-6-27(34)32-16-22(17-32)35-26-13-21(12-20-7-9-29-15-23(20)26)19-4-2-3-18(11-19)14-28;27-11-7-18-1-3-19(4-2-18)22-15-21-8-12-28-17-24(21)25(16-22)29-23-9-13-30(14-10-23)26(31)20-5-6-20;25-11-16-2-1-3-17(8-16)20-9-18-4-6-26-13-22(18)23(10-20)31-21-14-29(15-21)24(30)19-5-7-27-28-12-19;27-29(28,21-6-7-21)26-12-9-20(10-13-26)25-23-15-19(17-4-2-1-3-5-17)14-18-8-11-24-16-22(18)23;23-13-18-1-4-22(29-18)16-11-15-5-8-24-14-20(15)21(12-16)25-17-6-9-26(10-7-17)30(27,28)19-2-3-19/h2-4,7-13,15,22H,5-6,16-17H2,1H3;1-4,8,12,15-17,20,23,29H,5-7,9-10,13-14H2;1-10,12-13,21H,14-15H2;1-5,8,11,14-16,20-21,25H,6-7,9-10,12-13H2;1,4-5,8,11-12,14,17,19,25H,2-3,6-7,9-10H2.
What are the key properties of 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?
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 has a molecular weight of 2129.58 g/mol, XLogP of 20.48, 26 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158748069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).