1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide

C165H178N28O7 — CID 162243864

IUPAC1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2ccc3cnc(CC(=O)C4CCN(C)CC4)cc3c2)c1.CC(C)Nc1cncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc(N(C)C)c5)ccc4cn3)ccn2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncc(NC5CCN(C)CC5)c4)ccc3cn2)cc1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncc(NC5CCNCC5)c4)ccc3cn2)cc1.O=C(Cc1cc2cc(-c3cncc(NC4CCNCC4)c3)ccc2cn1)C1CCCCC1
InChIInChI=1S/C29H32N6O.C29H30N4O.C28H30N6O.C28H28N4O.C27H32N4O.C24H26N4O2/c1-20(2)33-27-14-25(17-30-19-27)21-4-5-23-18-32-26(13-24(23)12-21)16-28(36)22-6-7-31-29(15-22)35-10-8-34(3)9-11-35;1-20-3-5-21(6-4-20)29(34)16-27-14-24-13-22(7-8-23(24)18-31-27)25-15-28(19-30-17-25)32-26-9-11-33(2)12-10-26;1-32(2)26-14-24(17-29-19-26)20-4-5-22-18-31-25(13-23(22)12-20)16-27(35)21-6-7-30-28(15-21)34-10-8-33(3)9-11-34;1-19-2-4-20(5-3-19)28(33)15-26-13-23-12-21(6-7-22(23)17-31-26)24-14-27(18-30-16-24)32-25-8-10-29-11-9-25;32-27(19-4-2-1-3-5-19)15-25-13-22-12-20(6-7-21(22)17-30-25)23-14-26(18-29-16-23)31-24-8-10-28-11-9-24;1-16(29)27-23-11-21(13-25-15-23)18-3-4-19-14-26-22(10-20(19)9-18)12-24(30)17-5-7-28(2)8-6-17/h4-7,12-15,17-20,33H,8-11,16H2,1-3H3;3-8,13-15,17-19,26,32H,9-12,16H2,1-2H3;4-7,12-15,17-19H,8-11,16H2,1-3H3;2-7,12-14,16-18,25,29,32H,8-11,15H2,1H3;6-7,12-14,16-19,24,28,31H,1-5,8-11,15H2;3-4,9-11,13-15,17H,5-8,12H2,1-2H3,(H,27,29)
InChIKeyZXBHZJDREOXYSX-UHFFFAOYSA-N
MW2665.43 g/mol
LogP28.22
Rot. Bonds36

About 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide

1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide (PubChem CID 162243864) has the molecular formula C165H178N28O7 and a molecular weight of 2665.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide
PubChem CID162243864
Molecular FormulaC165H178N28O7
Molecular Weight2665.43 g/mol
Exact Mass2663.44
IUPAC Name1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2ccc3cnc(CC(=O)C4CCN(C)CC4)cc3c2)c1.CC(C)Nc1cncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc(N(C)C)c5)ccc4cn3)ccn2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncc(NC5CCN(C)CC5)c4)ccc3cn2)cc1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncc(NC5CCNCC5)c4)ccc3cn2)cc1.O=C(Cc1cc2cc(-c3cncc(NC4CCNCC4)c3)ccc2cn1)C1CCCCC1
InChIInChI=1S/C29H32N6O.C29H30N4O.C28H30N6O.C28H28N4O.C27H32N4O.C24H26N4O2/c1-20(2)33-27-14-25(17-30-19-27)21-4-5-23-18-32-26(13-24(23)12-21)16-28(36)22-6-7-31-29(15-22)35-10-8-34(3)9-11-35;1-20-3-5-21(6-4-20)29(34)16-27-14-24-13-22(7-8-23(24)18-31-27)25-15-28(19-30-17-25)32-26-9-11-33(2)12-10-26;1-32(2)26-14-24(17-29-19-26)20-4-5-22-18-31-25(13-23(22)12-20)16-27(35)21-6-7-30-28(15-21)34-10-8-33(3)9-11-34;1-19-2-4-20(5-3-19)28(33)15-26-13-23-12-21(6-7-22(23)17-31-26)24-14-27(18-30-16-24)32-25-8-10-29-11-9-25;32-27(19-4-2-1-3-5-19)15-25-13-22-12-20(6-7-21(22)17-30-25)23-14-26(18-29-16-23)31-24-8-10-28-11-9-24;1-16(29)27-23-11-21(13-25-15-23)18-3-4-19-14-26-22(10-20(19)9-18)12-24(30)17-5-7-28(2)8-6-17/h4-7,12-15,17-20,33H,8-11,16H2,1-3H3;3-8,13-15,17-19,26,32H,9-12,16H2,1-2H3;4-7,12-15,17-19H,8-11,16H2,1-3H3;2-7,12-14,16-18,25,29,32H,8-11,15H2,1H3;6-7,12-14,16-19,24,28,31H,1-5,8-11,15H2;3-4,9-11,13-15,17H,5-8,12H2,1-2H3,(H,27,29)
InChIKeyZXBHZJDREOXYSX-UHFFFAOYSA-N
XLogP28.22
TPSA406.84 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002665.43
LogP ≤ 528.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[5-(dimethylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159696630
2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157303502
1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone
CID 147884305
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone
CID 158589955
2-[6-[6-(dimethylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158985268
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
2-(4-methylpiperazin-1-yl)-N-[7-[5-(propan-2-ylamino)-3-pyridinyl]quinazolin-2-yl]pyridine-4-carboxamide
CID 138590574
N-[2-[5-(dimethylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138591093
2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157291499
2-[6-(3-amino-5-fluorophenyl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(1-azabicyclo[2.2.2]octan-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-cyclopropyl-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;2-[6-[3-fluoro-5-(propan-2-ylamino)phenyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-2-ylisoquinolin-3-yl)ethanone;1-(1-methylpiperidin-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(6-pyridin-3-ylisoquinolin-3-yl)-3-pyrrolidin-1-ylpropan-2-one
CID 158541070
1-[5-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-1,7-naphthyridin-3-yl]-3-pyridinyl]propan-1-one
CID 159131291
2-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159031337

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide?
The IUPAC name of 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide (CID 162243864) is 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(-c2ccc3cnc(CC(=O)C4CCN(C)CC4)cc3c2)c1.CC(C)Nc1cncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc(N(C)C)c5)ccc4cn3)ccn2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncc(NC5CCN(C)CC5)c4)ccc3cn2)cc1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncc(NC5CCNCC5)c4)ccc3cn2)cc1.O=C(Cc1cc2cc(-c3cncc(NC4CCNCC4)c3)ccc2cn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide?
The InChIKey is ZXBHZJDREOXYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O.C29H30N4O.C28H30N6O.C28H28N4O.C27H32N4O.C24H26N4O2/c1-20(2)33-27-14-25(17-30-19-27)21-4-5-23-18-32-26(13-24(23)12-21)16-28(36)22-6-7-31-29(15-22)35-10-8-34(3)9-11-35;1-20-3-5-21(6-4-20)29(34)16-27-14-24-13-22(7-8-23(24)18-31-27)25-15-28(19-30-17-25)32-26-9-11-33(2)12-10-26;1-32(2)26-14-24(17-29-19-26)20-4-5-22-18-31-25(13-23(22)12-20)16-27(35)21-6-7-30-28(15-21)34-10-8-33(3)9-11-34;1-19-2-4-20(5-3-19)28(33)15-26-13-23-12-21(6-7-22(23)17-31-26)24-14-27(18-30-16-24)32-25-8-10-29-11-9-25;32-27(19-4-2-1-3-5-19)15-25-13-22-12-20(6-7-21(22)17-30-25)23-14-26(18-29-16-23)31-24-8-10-28-11-9-24;1-16(29)27-23-11-21(13-25-15-23)18-3-4-19-14-26-22(10-20(19)9-18)12-24(30)17-5-7-28(2)8-6-17/h4-7,12-15,17-20,33H,8-11,16H2,1-3H3;3-8,13-15,17-19,26,32H,9-12,16H2,1-2H3;4-7,12-15,17-19H,8-11,16H2,1-3H3;2-7,12-14,16-18,25,29,32H,8-11,15H2,1H3;6-7,12-14,16-19,24,28,31H,1-5,8-11,15H2;3-4,9-11,13-15,17H,5-8,12H2,1-2H3,(H,27,29).
What are the key properties of 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide?
1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide has a molecular weight of 2665.43 g/mol, XLogP of 28.22, 36 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-3-pyridinyl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(4-methylphenyl)-2-[6-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]isoquinolin-3-yl]ethanone;1-(4-methylphenyl)-2-[6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-[5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]ethanone;N-[5-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]isoquinolin-6-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 162243864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).