1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)

C165H202F2N28O7 — CID 161371454

IUPAC1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)
SMILESCC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(C)N1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(F)CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)F)CC4)cc3c2)cn1
InChIInChI=1S/C25H32N4O.C24H29FN4O.C24H30N4O.C23H27FN4O.3C23H28N4O/c1-25(2,3)17-29-9-7-18(8-10-29)24(30)13-23-12-21-11-19(5-6-20(21)14-26-23)22-15-27-28(4)16-22;1-24(2,25)16-29-8-6-17(7-9-29)23(30)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-28(3)15-21;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;1-16(24)14-28-7-5-17(6-8-28)23(29)11-22-10-20-9-18(3-4-19(20)12-25-22)21-13-26-27(2)15-21;1-16(2)27-8-6-17(7-9-27)23(28)12-22-11-20-10-18(4-5-19(20)13-24-22)21-14-25-26(3)15-21;2*1-3-8-27-9-6-17(7-10-27)23(28)13-22-12-20-11-18(4-5-19(20)14-24-22)21-15-25-26(2)16-21/h5-6,11-12,14-16,18H,7-10,13,17H2,1-4H3;4-5,10-11,13-15,17H,6-9,12,16H2,1-3H3;4-5,10-11,13-14,16-18H,6-9,12,15H2,1-3H3;3-4,9-10,12-13,15-17H,5-8,11,14H2,1-2H3;4-5,10-11,13-17H,6-9,12H2,1-3H3;2*4-5,11-12,14-17H,3,6-10,13H2,1-2H3
InChIKeyVQMXIZUXLHDDMV-UHFFFAOYSA-N
MW2727.62 g/mol
LogP28.25
Rot. Bonds40

About 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)

1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone) (PubChem CID 161371454) has the molecular formula C165H202F2N28O7 and a molecular weight of 2727.62 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone).

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)
PubChem CID161371454
Molecular FormulaC165H202F2N28O7
Molecular Weight2727.62 g/mol
Exact Mass2725.63
IUPAC Name1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)
SMILESCC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(C)N1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(F)CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)F)CC4)cc3c2)cn1
InChIInChI=1S/C25H32N4O.C24H29FN4O.C24H30N4O.C23H27FN4O.3C23H28N4O/c1-25(2,3)17-29-9-7-18(8-10-29)24(30)13-23-12-21-11-19(5-6-20(21)14-26-23)22-15-27-28(4)16-22;1-24(2,25)16-29-8-6-17(7-9-29)23(30)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-28(3)15-21;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;1-16(24)14-28-7-5-17(6-8-28)23(29)11-22-10-20-9-18(3-4-19(20)12-25-22)21-13-26-27(2)15-21;1-16(2)27-8-6-17(7-9-27)23(28)12-22-11-20-10-18(4-5-19(20)13-24-22)21-14-25-26(3)15-21;2*1-3-8-27-9-6-17(7-10-27)23(28)13-22-12-20-11-18(4-5-19(20)14-24-22)21-15-25-26(2)16-21/h5-6,11-12,14-16,18H,7-10,13,17H2,1-4H3;4-5,10-11,13-15,17H,6-9,12,16H2,1-3H3;4-5,10-11,13-14,16-18H,6-9,12,15H2,1-3H3;3-4,9-10,12-13,15-17H,5-8,11,14H2,1-2H3;4-5,10-11,13-17H,6-9,12H2,1-3H3;2*4-5,11-12,14-17H,3,6-10,13H2,1-2H3
InChIKeyVQMXIZUXLHDDMV-UHFFFAOYSA-N
XLogP28.25
TPSA357.14 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002727.62
LogP ≤ 528.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone) with MolForge

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Related Compounds

CID 157303773
CID 157303773
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
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
CID 158354204
CID 158354204
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
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
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-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 160098734
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;2-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 160125269
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-[[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;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 160133504

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone) (CID 161371454) is 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone).
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone) is CC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(C)N1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(F)CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)F)CC4)cc3c2)cn1.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)?
The InChIKey is VQMXIZUXLHDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O.C24H29FN4O.C24H30N4O.C23H27FN4O.3C23H28N4O/c1-25(2,3)17-29-9-7-18(8-10-29)24(30)13-23-12-21-11-19(5-6-20(21)14-26-23)22-15-27-28(4)16-22;1-24(2,25)16-29-8-6-17(7-9-29)23(30)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-28(3)15-21;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;1-16(24)14-28-7-5-17(6-8-28)23(29)11-22-10-20-9-18(3-4-19(20)12-25-22)21-13-26-27(2)15-21;1-16(2)27-8-6-17(7-9-27)23(28)12-22-11-20-10-18(4-5-19(20)13-24-22)21-14-25-26(3)15-21;2*1-3-8-27-9-6-17(7-10-27)23(28)13-22-12-20-11-18(4-5-19(20)14-24-22)21-15-25-26(2)16-21/h5-6,11-12,14-16,18H,7-10,13,17H2,1-4H3;4-5,10-11,13-15,17H,6-9,12,16H2,1-3H3;4-5,10-11,13-14,16-18H,6-9,12,15H2,1-3H3;3-4,9-10,12-13,15-17H,5-8,11,14H2,1-2H3;4-5,10-11,13-17H,6-9,12H2,1-3H3;2*4-5,11-12,14-17H,3,6-10,13H2,1-2H3.
What are the key properties of 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)?
1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone) has a molecular weight of 2727.62 g/mol, XLogP of 28.25, 40 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone) is sourced from PubChem (CID 161371454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).