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

C130H130N22O7 — CID 157360642

IUPAC3-[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
SMILESC=C/C=N/C=C/CC(=O)N1CCC(Nc2cc(C/C=C/C#N)cc3ccncc23)CC1.C=CC.C=CC.CC(=O)N1CCC(C(=O)N2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)CC1.N#C/C=C/Cc1cc(NC2CCN(C(=O)c3ccncc3)CC2)c2cnccc2c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4cccnc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CNC3)c3cnccc3c2)c1
InChIInChI=1S/C29H31N5O2.C27H22N4O2.C25H27N5O.C24H23N5O.C19H15N3O.2C3H6/c1-20(35)33-11-6-22(7-12-33)29(36)34-13-8-26(9-14-34)32-28-17-25(16-24-5-10-31-19-27(24)28)23-4-2-3-21(15-23)18-30;28-16-19-3-1-4-20(13-19)23-14-21-6-10-30-18-25(21)26(15-23)33-24-7-11-31(12-8-24)27(32)22-5-2-9-29-17-22;1-2-12-27-13-5-7-25(31)30-15-9-22(10-16-30)29-24-18-20(6-3-4-11-26)17-21-8-14-28-19-23(21)24;25-9-2-1-3-18-15-20-6-12-27-17-22(20)23(16-18)28-21-7-13-29(14-8-21)24(30)19-4-10-26-11-5-19;20-9-13-2-1-3-14(6-13)16-7-15-4-5-21-12-18(15)19(8-16)23-17-10-22-11-17;2*1-3-2/h2-5,10,15-17,19,22,26,32H,6-9,11-14H2,1H3;1-6,9-10,13-15,17-18,24H,7-8,11-12H2;2-5,8,12-14,17-19,22,29H,1,6-7,9-10,15-16H2;1-2,4-6,10-12,15-17,21,28H,3,7-8,13-14H2;1-8,12,17,22H,10-11H2;2*3H,1H2,2H3/b;;4-3+,13-5+,27-12+;2-1+;;;
InChIKeyBIPFLLRQZIZDCV-JBLCAQBPSA-N
MW2112.62 g/mol
LogP23.18
Rot. Bonds24

About 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

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 (PubChem CID 157360642) has the molecular formula C130H130N22O7 and a molecular weight of 2112.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID157360642
Molecular FormulaC130H130N22O7
Molecular Weight2112.62 g/mol
Exact Mass2111.05
IUPAC Name3-[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
SMILESC=C/C=N/C=C/CC(=O)N1CCC(Nc2cc(C/C=C/C#N)cc3ccncc23)CC1.C=CC.C=CC.CC(=O)N1CCC(C(=O)N2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)CC1.N#C/C=C/Cc1cc(NC2CCN(C(=O)c3ccncc3)CC2)c2cnccc2c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4cccnc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CNC3)c3cnccc3c2)c1
InChIInChI=1S/C29H31N5O2.C27H22N4O2.C25H27N5O.C24H23N5O.C19H15N3O.2C3H6/c1-20(35)33-11-6-22(7-12-33)29(36)34-13-8-26(9-14-34)32-28-17-25(16-24-5-10-31-19-27(24)28)23-4-2-3-21(15-23)18-30;28-16-19-3-1-4-20(13-19)23-14-21-6-10-30-18-25(21)26(15-23)33-24-7-11-31(12-8-24)27(32)22-5-2-9-29-17-22;1-2-12-27-13-5-7-25(31)30-15-9-22(10-16-30)29-24-18-20(6-3-4-11-26)17-21-8-14-28-19-23(21)24;25-9-2-1-3-18-15-20-6-12-27-17-22(20)23(16-18)28-21-7-13-29(14-8-21)24(30)19-4-10-26-11-5-19;20-9-13-2-1-3-14(6-13)16-7-15-4-5-21-12-18(15)19(8-16)23-17-10-22-11-17;2*1-3-2/h2-5,10,15-17,19,22,26,32H,6-9,11-14H2,1H3;1-6,9-10,13-15,17-18,24H,7-8,11-12H2;2-5,8,12-14,17-19,22,29H,1,6-7,9-10,15-16H2;1-2,4-6,10-12,15-17,21,28H,3,7-8,13-14H2;1-8,12,17,22H,10-11H2;2*3H,1H2,2H3/b;;4-3+,13-5+,27-12+;2-1+;;;
InChIKeyBIPFLLRQZIZDCV-JBLCAQBPSA-N
XLogP23.18
TPSA389.67 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002112.62
LogP ≤ 523.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

3-[8-[1-[6-(Fluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile
CID 70936377
(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-fluoro-4-methoxyquinolin-8-yl]benzonitrile;3-[6-[(3S,5R)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 157957835
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158687562
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
(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 160938024
3-[8-[1-(Pyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 45274345
3-[8-[1-[1-(Pyridine-3-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 45275092
3-[8-[1-(6-Methylpyridine-3-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile
CID 59534804
(E)-4-[8-[1-[1-(pyridine-3-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]but-2-enenitrile
CID 59535370
4-[8-[1-[1-(Pyridine-3-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]but-2-enenitrile
CID 72319205
[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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=N/C=C/CC(=O)N1CCC(Nc2cc(C/C=C/C#N)cc3ccncc23)CC1.C=CC.C=CC.CC(=O)N1CCC(C(=O)N2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)CC1.N#C/C=C/Cc1cc(NC2CCN(C(=O)c3ccncc3)CC2)c2cnccc2c1.N#Cc1cccc(-c2cc(OC3CCN(C(=O)c4cccnc4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(OC3CNC3)c3cnccc3c2)c1.
What is the InChIKey of 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?
The InChIKey is BIPFLLRQZIZDCV-JBLCAQBPSA-N. The full InChI is InChI=1S/C29H31N5O2.C27H22N4O2.C25H27N5O.C24H23N5O.C19H15N3O.2C3H6/c1-20(35)33-11-6-22(7-12-33)29(36)34-13-8-26(9-14-34)32-28-17-25(16-24-5-10-31-19-27(24)28)23-4-2-3-21(15-23)18-30;28-16-19-3-1-4-20(13-19)23-14-21-6-10-30-18-25(21)26(15-23)33-24-7-11-31(12-8-24)27(32)22-5-2-9-29-17-22;1-2-12-27-13-5-7-25(31)30-15-9-22(10-16-30)29-24-18-20(6-3-4-11-26)17-21-8-14-28-19-23(21)24;25-9-2-1-3-18-15-20-6-12-27-17-22(20)23(16-18)28-21-7-13-29(14-8-21)24(30)19-4-10-26-11-5-19;20-9-13-2-1-3-14(6-13)16-7-15-4-5-21-12-18(15)19(8-16)23-17-10-22-11-17;2*1-3-2/h2-5,10,15-17,19,22,26,32H,6-9,11-14H2,1H3;1-6,9-10,13-15,17-18,24H,7-8,11-12H2;2-5,8,12-14,17-19,22,29H,1,6-7,9-10,15-16H2;1-2,4-6,10-12,15-17,21,28H,3,7-8,13-14H2;1-8,12,17,22H,10-11H2;2*3H,1H2,2H3/b;;4-3+,13-5+,27-12+;2-1+;;;.
What are the key properties of 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?
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 has a molecular weight of 2112.62 g/mol, XLogP of 23.18, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157360642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).