1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one

C165H198F3N27O7 — CID 159558576

IUPAC1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
SMILESCC(C)CN1CCC(C(=O)Cc2cc3cc(-c4ccn(C)n4)ccc3cn2)CC1.CC(C)CN1CCC(CC(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN(C)C1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)c(F)cc3cn2)CC1.CN(C)C1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)cc(F)c3cn2)CC1.Cn1cc(-c2cc(F)c3cnc(CC(=O)C4CCC(N5CCCCC5)CC4)cc3c2)cn1.[2H]c1c(CC(=O)C2CCCCC2)ncc2ccc(-c3cnn(C)c3)cc12.[2H]c1c(CC(=O)C2CCN(CC(C)C)CC2)ncc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C26H31FN4O.3C24H30N4O.2C23H27FN4O.C21H23N3O/c1-30-17-21(15-29-30)19-11-20-12-22(28-16-24(20)25(27)13-19)14-26(32)18-5-7-23(8-6-18)31-9-3-2-4-10-31;1-17(2)16-28-10-6-18(7-11-28)24(29)14-22-13-21-12-19(4-5-20(21)15-25-22)23-8-9-27(3)26-23;1-17(2)15-28-8-6-18(7-9-28)24(29)12-23-11-21-10-19(4-5-20(21)13-25-23)22-14-26-27(3)16-22;1-17(2)14-28-7-6-18(15-28)8-24(29)11-23-10-21-9-19(4-5-20(21)12-25-23)22-13-26-27(3)16-22;1-27(2)20-6-4-15(5-7-20)23(29)11-19-9-17-8-16(18-12-26-28(3)14-18)10-22(24)21(17)13-25-19;1-27(2)20-6-4-15(5-7-20)23(29)11-19-8-16-9-21(18-13-26-28(3)14-18)22(24)10-17(16)12-25-19;1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15/h11-13,15-18,23H,2-10,14H2,1H3;4-5,8-9,12-13,15,17-18H,6-7,10-11,14,16H2,1-3H3;4-5,10-11,13-14,16-18H,6-9,12,15H2,1-3H3;4-5,9-10,12-13,16-18H,6-8,11,14-15H2,1-3H3;2*8-10,12-15,20H,4-7,11H2,1-3H3;7-10,12-15H,2-6,11H2,1H3/i;;11D;;;;10D
InChIKeyMGHRNKYNNOBLJO-ZYBQQPHSSA-N
MW2730.59 g/mol
LogP29.62
Rot. Bonds38

About 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one

1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one (PubChem CID 159558576) has the molecular formula C165H198F3N27O7 and a molecular weight of 2730.59 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
PubChem CID159558576
Molecular FormulaC165H198F3N27O7
Molecular Weight2730.59 g/mol
Exact Mass2728.60
IUPAC Name1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
SMILESCC(C)CN1CCC(C(=O)Cc2cc3cc(-c4ccn(C)n4)ccc3cn2)CC1.CC(C)CN1CCC(CC(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN(C)C1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)c(F)cc3cn2)CC1.CN(C)C1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)cc(F)c3cn2)CC1.Cn1cc(-c2cc(F)c3cnc(CC(=O)C4CCC(N5CCCCC5)CC4)cc3c2)cn1.[2H]c1c(CC(=O)C2CCCCC2)ncc2ccc(-c3cnn(C)c3)cc12.[2H]c1c(CC(=O)C2CCN(CC(C)C)CC2)ncc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C26H31FN4O.3C24H30N4O.2C23H27FN4O.C21H23N3O/c1-30-17-21(15-29-30)19-11-20-12-22(28-16-24(20)25(27)13-19)14-26(32)18-5-7-23(8-6-18)31-9-3-2-4-10-31;1-17(2)16-28-10-6-18(7-11-28)24(29)14-22-13-21-12-19(4-5-20(21)15-25-22)23-8-9-27(3)26-23;1-17(2)15-28-8-6-18(7-9-28)24(29)12-23-11-21-10-19(4-5-20(21)13-25-23)22-14-26-27(3)16-22;1-17(2)14-28-7-6-18(15-28)8-24(29)11-23-10-21-9-19(4-5-20(21)12-25-23)22-13-26-27(3)16-22;1-27(2)20-6-4-15(5-7-20)23(29)11-19-9-17-8-16(18-12-26-28(3)14-18)10-22(24)21(17)13-25-19;1-27(2)20-6-4-15(5-7-20)23(29)11-19-8-16-9-21(18-13-26-28(3)14-18)22(24)10-17(16)12-25-19;1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15/h11-13,15-18,23H,2-10,14H2,1H3;4-5,8-9,12-13,15,17-18H,6-7,10-11,14,16H2,1-3H3;4-5,10-11,13-14,16-18H,6-9,12,15H2,1-3H3;4-5,9-10,12-13,16-18H,6-8,11,14-15H2,1-3H3;2*8-10,12-15,20H,4-7,11H2,1-3H3;7-10,12-15H,2-6,11H2,1H3/i;;11D;;;;10D
InChIKeyMGHRNKYNNOBLJO-ZYBQQPHSSA-N
XLogP29.62
TPSA353.90 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002730.59
LogP ≤ 529.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one 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-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 157467989
N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane
CID 157961694
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158345019
copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline
CID 158738201
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one
CID 159369507
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane
CID 159480326
2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
CID 159554024
(3-Fluoro-2-pyridazin-3-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyridazin-4-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridazin-3-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159580997
1-[7-[(3,3-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone
CID 159645501
4-[6-(3-Cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one
CID 159655136
6-[(3R)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(1-cyclohexylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(cyclohexylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;bis(3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one)
CID 159811188
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one
CID 160098733

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one?
The IUPAC name of 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one (CID 159558576) is 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one.
What is the SMILES notation for 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one?
The canonical SMILES for 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one is CC(C)CN1CCC(C(=O)Cc2cc3cc(-c4ccn(C)n4)ccc3cn2)CC1.CC(C)CN1CCC(CC(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN(C)C1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)c(F)cc3cn2)CC1.CN(C)C1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)cc(F)c3cn2)CC1.Cn1cc(-c2cc(F)c3cnc(CC(=O)C4CCC(N5CCCCC5)CC4)cc3c2)cn1.[2H]c1c(CC(=O)C2CCCCC2)ncc2ccc(-c3cnn(C)c3)cc12.[2H]c1c(CC(=O)C2CCN(CC(C)C)CC2)ncc2ccc(-c3cnn(C)c3)cc12.
What is the InChIKey of 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one?
The InChIKey is MGHRNKYNNOBLJO-ZYBQQPHSSA-N. The full InChI is InChI=1S/C26H31FN4O.3C24H30N4O.2C23H27FN4O.C21H23N3O/c1-30-17-21(15-29-30)19-11-20-12-22(28-16-24(20)25(27)13-19)14-26(32)18-5-7-23(8-6-18)31-9-3-2-4-10-31;1-17(2)16-28-10-6-18(7-11-28)24(29)14-22-13-21-12-19(4-5-20(21)15-25-22)23-8-9-27(3)26-23;1-17(2)15-28-8-6-18(7-9-28)24(29)12-23-11-21-10-19(4-5-20(21)13-25-23)22-14-26-27(3)16-22;1-17(2)14-28-7-6-18(15-28)8-24(29)11-23-10-21-9-19(4-5-20(21)12-25-23)22-13-26-27(3)16-22;1-27(2)20-6-4-15(5-7-20)23(29)11-19-9-17-8-16(18-12-26-28(3)14-18)10-22(24)21(17)13-25-19;1-27(2)20-6-4-15(5-7-20)23(29)11-19-8-16-9-21(18-13-26-28(3)14-18)22(24)10-17(16)12-25-19;1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15/h11-13,15-18,23H,2-10,14H2,1H3;4-5,8-9,12-13,15,17-18H,6-7,10-11,14,16H2,1-3H3;4-5,10-11,13-14,16-18H,6-9,12,15H2,1-3H3;4-5,9-10,12-13,16-18H,6-8,11,14-15H2,1-3H3;2*8-10,12-15,20H,4-7,11H2,1-3H3;7-10,12-15H,2-6,11H2,1H3/i;;11D;;;;10D.
What are the key properties of 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one?
1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one has a molecular weight of 2730.59 g/mol, XLogP of 29.62, 38 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one is sourced from PubChem (CID 159558576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).