1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)

C309H287N51O13 — CID 159794059

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cnn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ncn2)CC1.CN1CCc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccc2C1.CN1CCc2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.CN1Cc2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.Cn1cc(-c2ccc3cnc(CC(=O)CCc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)CCc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)Cc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)Cc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)NCC5)cc3c2)cn1
InChIInChI=1S/2C25H24N4O.2C25H23N3O.2C24H25N7O.C24H22N4O.C24H21N3O.C23H20N4O.2C23H21N3O.2C22H19N3O/c1-28-8-7-18-9-19(4-6-21(18)15-28)25(30)12-24-11-22-10-17(3-5-20(22)13-26-24)23-14-27-29(2)16-23;1-28-8-7-17-3-5-19(10-22(17)15-28)25(30)12-24-11-21-9-18(4-6-20(21)13-26-24)23-14-27-29(2)16-23;2*1-28-16-23(15-27-28)19-7-9-21-14-26-24(12-22(21)11-19)13-25(29)20-8-6-17-4-2-3-5-18(17)10-20;1-29-5-7-31(8-6-29)24-12-22(26-16-27-24)23(32)11-21-10-19-9-17(3-4-18(19)13-25-21)20-14-28-30(2)15-20;1-29-5-7-31(8-6-29)24-11-20(14-26-28-24)23(32)12-22-10-19-9-17(3-4-18(19)13-25-22)21-15-27-30(2)16-21;1-27-13-19-6-4-17(8-21(19)14-27)24(29)10-23-9-20-7-16(3-5-18(20)11-25-23)22-12-26-28(2)15-22;1-27-15-22(14-26-27)18-6-8-20-13-25-23(11-21(20)10-18)12-24(28)19-7-5-16-3-2-4-17(16)9-19;1-27-14-20(13-26-27)16-3-5-18-12-25-21(9-19(18)8-16)11-23(28)17-4-2-15-6-7-24-22(15)10-17;2*1-26-16-21(15-25-26)18-8-9-19-14-24-22(12-20(19)11-18)13-23(27)10-7-17-5-3-2-4-6-17;2*1-25-15-20(14-24-25)17-7-8-18-13-23-21(11-19(18)10-17)12-22(26)9-16-5-3-2-4-6-16/h2*3-6,9-11,13-14,16H,7-8,12,15H2,1-2H3;2*6-12,14-16H,2-5,13H2,1H3;3-4,9-10,12-16H,5-8,11H2,1-2H3;3-4,9-11,13-16H,5-8,12H2,1-2H3;3-9,11-12,15H,10,13-14H2,1-2H3;5-11,13-15H,2-4,12H2,1H3;2-5,8-10,12-14,24H,6-7,11H2,1H3;2*2-6,8-9,11-12,14-16H,7,10,13H2,1H3;2*2-8,10-11,13-15H,9,12H2,1H3
InChIKeyNIYCHWSROLVYRU-UHFFFAOYSA-N
MW4923.04 g/mol
LogP52.50
Rot. Bonds60

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)

1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone) (PubChem CID 159794059) has the molecular formula C309H287N51O13 and a molecular weight of 4923.04 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone).

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)
PubChem CID159794059
Molecular FormulaC309H287N51O13
Molecular Weight4923.04 g/mol
Exact Mass4919.34
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cnn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ncn2)CC1.CN1CCc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccc2C1.CN1CCc2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.CN1Cc2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.Cn1cc(-c2ccc3cnc(CC(=O)CCc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)CCc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)Cc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)Cc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)NCC5)cc3c2)cn1
InChIInChI=1S/2C25H24N4O.2C25H23N3O.2C24H25N7O.C24H22N4O.C24H21N3O.C23H20N4O.2C23H21N3O.2C22H19N3O/c1-28-8-7-18-9-19(4-6-21(18)15-28)25(30)12-24-11-22-10-17(3-5-20(22)13-26-24)23-14-27-29(2)16-23;1-28-8-7-17-3-5-19(10-22(17)15-28)25(30)12-24-11-21-9-18(4-6-20(21)13-26-24)23-14-27-29(2)16-23;2*1-28-16-23(15-27-28)19-7-9-21-14-26-24(12-22(21)11-19)13-25(29)20-8-6-17-4-2-3-5-18(17)10-20;1-29-5-7-31(8-6-29)24-12-22(26-16-27-24)23(32)11-21-10-19-9-17(3-4-18(19)13-25-21)20-14-28-30(2)15-20;1-29-5-7-31(8-6-29)24-11-20(14-26-28-24)23(32)12-22-10-19-9-17(3-4-18(19)13-25-22)21-15-27-30(2)16-21;1-27-13-19-6-4-17(8-21(19)14-27)24(29)10-23-9-20-7-16(3-5-18(20)11-25-23)22-12-26-28(2)15-22;1-27-15-22(14-26-27)18-6-8-20-13-25-23(11-21(20)10-18)12-24(28)19-7-5-16-3-2-4-17(16)9-19;1-27-14-20(13-26-27)16-3-5-18-12-25-21(9-19(18)8-16)11-23(28)17-4-2-15-6-7-24-22(15)10-17;2*1-26-16-21(15-25-26)18-8-9-19-14-24-22(12-20(19)11-18)13-23(27)10-7-17-5-3-2-4-6-17;2*1-25-15-20(14-24-25)17-7-8-18-13-23-21(11-19(18)10-17)12-22(26)9-16-5-3-2-4-6-16/h2*3-6,9-11,13-14,16H,7-8,12,15H2,1-2H3;2*6-12,14-16H,2-5,13H2,1H3;3-4,9-10,12-16H,5-8,11H2,1-2H3;3-4,9-11,13-16H,5-8,12H2,1-2H3;3-9,11-12,15H,10,13-14H2,1-2H3;5-11,13-15H,2-4,12H2,1H3;2-5,8-10,12-14,24H,6-7,11H2,1H3;2*2-6,8-9,11-12,14-16H,7,10,13H2,1H3;2*2-8,10-11,13-15H,9,12H2,1H3
InChIKeyNIYCHWSROLVYRU-UHFFFAOYSA-N
XLogP52.50
TPSA707.41 Ų
H-Bond Donors1
H-Bond Acceptors64
Rotatable Bonds60
Heavy Atoms373
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004923.04
LogP ≤ 552.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1064

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone) (CID 159794059) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone).
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone) is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cnn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ncn2)CC1.CN1CCc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccc2C1.CN1CCc2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.CN1Cc2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.Cn1cc(-c2ccc3cnc(CC(=O)CCc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)CCc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)Cc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)Cc4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)NCC5)cc3c2)cn1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)?
The InChIKey is NIYCHWSROLVYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24N4O.2C25H23N3O.2C24H25N7O.C24H22N4O.C24H21N3O.C23H20N4O.2C23H21N3O.2C22H19N3O/c1-28-8-7-18-9-19(4-6-21(18)15-28)25(30)12-24-11-22-10-17(3-5-20(22)13-26-24)23-14-27-29(2)16-23;1-28-8-7-17-3-5-19(10-22(17)15-28)25(30)12-24-11-21-9-18(4-6-20(21)13-26-24)23-14-27-29(2)16-23;2*1-28-16-23(15-27-28)19-7-9-21-14-26-24(12-22(21)11-19)13-25(29)20-8-6-17-4-2-3-5-18(17)10-20;1-29-5-7-31(8-6-29)24-12-22(26-16-27-24)23(32)11-21-10-19-9-17(3-4-18(19)13-25-21)20-14-28-30(2)15-20;1-29-5-7-31(8-6-29)24-11-20(14-26-28-24)23(32)12-22-10-19-9-17(3-4-18(19)13-25-22)21-15-27-30(2)16-21;1-27-13-19-6-4-17(8-21(19)14-27)24(29)10-23-9-20-7-16(3-5-18(20)11-25-23)22-12-26-28(2)15-22;1-27-15-22(14-26-27)18-6-8-20-13-25-23(11-21(20)10-18)12-24(28)19-7-5-16-3-2-4-17(16)9-19;1-27-14-20(13-26-27)16-3-5-18-12-25-21(9-19(18)8-16)11-23(28)17-4-2-15-6-7-24-22(15)10-17;2*1-26-16-21(15-25-26)18-8-9-19-14-24-22(12-20(19)11-18)13-23(27)10-7-17-5-3-2-4-6-17;2*1-25-15-20(14-24-25)17-7-8-18-13-23-21(11-19(18)10-17)12-22(26)9-16-5-3-2-4-6-16/h2*3-6,9-11,13-14,16H,7-8,12,15H2,1-2H3;2*6-12,14-16H,2-5,13H2,1H3;3-4,9-10,12-16H,5-8,11H2,1-2H3;3-4,9-11,13-16H,5-8,12H2,1-2H3;3-9,11-12,15H,10,13-14H2,1-2H3;5-11,13-15H,2-4,12H2,1H3;2-5,8-10,12-14,24H,6-7,11H2,1H3;2*2-6,8-9,11-12,14-16H,7,10,13H2,1H3;2*2-8,10-11,13-15H,9,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)?
1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone) has a molecular weight of 4923.04 g/mol, XLogP of 52.50, 60 rotatable bonds, 1 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone) is sourced from PubChem (CID 159794059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).