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

C167H199F9N28O7 — CID 158308304

IUPACbis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)
SMILESCC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(F)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)F)CC4)cc3c2)cn1
InChIInChI=1S/2C25H31FN4O.C24H28F2N4O.C24H29FN4O.C23H26F2N4O.2C23H27FN4O/c2*1-24(2,3)17-30-9-7-25(26,8-10-30)23(31)13-22-12-20-11-18(5-6-19(20)14-27-22)21-15-28-29(4)16-21;1-23(2,25)16-30-8-6-24(26,7-9-30)22(31)12-21-11-19-10-17(4-5-18(19)13-27-21)20-14-28-29(3)15-20;1-17(2)15-29-8-6-24(25,7-9-29)23(30)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-28(3)16-21;1-16(24)14-29-7-5-23(25,6-8-29)22(30)11-21-10-19-9-17(3-4-18(19)12-26-21)20-13-27-28(2)15-20;2*1-3-8-28-9-6-23(24,7-10-28)22(29)13-21-12-19-11-17(4-5-18(19)14-25-21)20-15-26-27(2)16-20/h2*5-6,11-12,14-16H,7-10,13,17H2,1-4H3;4-5,10-11,13-15H,6-9,12,16H2,1-3H3;4-5,10-11,13-14,16-17H,6-9,12,15H2,1-3H3;3-4,9-10,12-13,15-16H,5-8,11,14H2,1-2H3;2*4-5,11-12,14-16H,3,6-10,13H2,1-2H3
InChIKeyGNJFNDJSUGYDEC-UHFFFAOYSA-N
MW2881.60 g/mol
LogP29.53
Rot. Bonds40

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

bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone) (PubChem CID 158308304) has the molecular formula C167H199F9N28O7 and a molecular weight of 2881.60 g/mol. Its IUPAC name is bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone).

Molecular Properties

Compound Namebis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)
PubChem CID158308304
Molecular FormulaC167H199F9N28O7
Molecular Weight2881.60 g/mol
Exact Mass2879.59
IUPAC Namebis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)
SMILESCC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(F)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)F)CC4)cc3c2)cn1
InChIInChI=1S/2C25H31FN4O.C24H28F2N4O.C24H29FN4O.C23H26F2N4O.2C23H27FN4O/c2*1-24(2,3)17-30-9-7-25(26,8-10-30)23(31)13-22-12-20-11-18(5-6-19(20)14-27-22)21-15-28-29(4)16-21;1-23(2,25)16-30-8-6-24(26,7-9-30)22(31)12-21-11-19-10-17(4-5-18(19)13-27-21)20-14-28-29(3)15-20;1-17(2)15-29-8-6-24(25,7-9-29)23(30)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-28(3)16-21;1-16(24)14-29-7-5-23(25,6-8-29)22(30)11-21-10-19-9-17(3-4-18(19)12-26-21)20-13-27-28(2)15-20;2*1-3-8-28-9-6-23(24,7-10-28)22(29)13-21-12-19-11-17(4-5-18(19)14-25-21)20-15-26-27(2)16-20/h2*5-6,11-12,14-16H,7-10,13,17H2,1-4H3;4-5,10-11,13-15H,6-9,12,16H2,1-3H3;4-5,10-11,13-14,16-17H,6-9,12,15H2,1-3H3;3-4,9-10,12-13,15-16H,5-8,11,14H2,1-2H3;2*4-5,11-12,14-16H,3,6-10,13H2,1-2H3
InChIKeyGNJFNDJSUGYDEC-UHFFFAOYSA-N
XLogP29.53
TPSA357.14 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002881.60
LogP ≤ 529.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-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
1-(4-Fluoro-3-methylbenzene-6-id-1-yl)pyrazole;hexakis(iridium);1-(3-methylbenzene-6-id-1-yl)pyrazole;bis(1-(5-methylpyrrol-1-id-2-yl)ethanone);2-methyl-1-pyrrol-1-id-2-ylpropan-1-one;3-phenylisoquinoline;2-(phenylmethyl)pyridine;2-phenylpyridine;1-pyrrol-1-id-2-ylethanone;1-(4,5,6,7-tetrahydroindol-1-id-2-yl)ethanone;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;1-[4-(trifluoromethyl)pyrrol-1-id-2-yl]ethanone
CID 157735170
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
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
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

Frequently Asked Questions

What is the IUPAC name of bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)?
The IUPAC name of bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone) (CID 158308304) is bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone).
What is the SMILES notation for bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)?
The canonical SMILES for bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone) is CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CC(F)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)C)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)(C)F)CC4)cc3c2)cn1.
What is the InChIKey of bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)?
The InChIKey is GNJFNDJSUGYDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31FN4O.C24H28F2N4O.C24H29FN4O.C23H26F2N4O.2C23H27FN4O/c2*1-24(2,3)17-30-9-7-25(26,8-10-30)23(31)13-22-12-20-11-18(5-6-19(20)14-27-22)21-15-28-29(4)16-21;1-23(2,25)16-30-8-6-24(26,7-9-30)22(31)12-21-11-19-10-17(4-5-18(19)13-27-21)20-14-28-29(3)15-20;1-17(2)15-29-8-6-24(25,7-9-29)23(30)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-28(3)16-21;1-16(24)14-29-7-5-23(25,6-8-29)22(30)11-21-10-19-9-17(3-4-18(19)12-26-21)20-13-27-28(2)15-20;2*1-3-8-28-9-6-23(24,7-10-28)22(29)13-21-12-19-11-17(4-5-18(19)14-25-21)20-15-26-27(2)16-20/h2*5-6,11-12,14-16H,7-10,13,17H2,1-4H3;4-5,10-11,13-15H,6-9,12,16H2,1-3H3;4-5,10-11,13-14,16-17H,6-9,12,15H2,1-3H3;3-4,9-10,12-13,15-16H,5-8,11,14H2,1-2H3;2*4-5,11-12,14-16H,3,6-10,13H2,1-2H3.
What are the key properties of bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)?
bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone) has a molecular weight of 2881.60 g/mol, XLogP of 29.53, 40 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone) is sourced from PubChem (CID 158308304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).