1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone

C117H127FN34O6 — CID 159633630

IUPAC1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
SMILESCC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)nn2)CC1.CN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)nn2)CC1.CN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCN(CCF)CC5)nn4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)cn1
InChIInChI=1S/C25H29N7O.C24H26FN7O.C23H25N7O.C23H24N6O2.C22H23N7O/c1-17(2)31-8-6-23(7-9-31)32-16-24(28-29-32)25(33)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-30(3)15-21;1-30-15-20(14-27-30)17-2-3-18-13-26-21(11-19(18)10-17)12-24(33)23-16-32(29-28-23)22-4-7-31(8-5-22)9-6-25;1-28-7-5-21(6-8-28)30-15-22(26-27-30)23(31)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-25-29(2)14-19;1-27-5-7-29(8-6-27)23-25-14-22(31-23)21(30)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-26-28(2)15-19;1-28-13-18(12-25-28)15-2-3-16-11-24-19(9-17(16)8-15)10-22(30)21-14-29(27-26-21)20-4-6-23-7-5-20/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;2-3,10-11,13-16,22H,4-9,12H2,1H3;3-4,9-10,12-15,21H,5-8,11H2,1-2H3;3-4,9-10,12-15H,5-8,11H2,1-2H3;2-3,8-9,11-14,20,23H,4-7,10H2,1H3
InChIKeyMPLMYMDTFACQHQ-UHFFFAOYSA-N
MW2124.53 g/mol
LogP15.25
Rot. Bonds28

About 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone

1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone (PubChem CID 159633630) has the molecular formula C117H127FN34O6 and a molecular weight of 2124.53 g/mol. Its IUPAC name is 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
PubChem CID159633630
Molecular FormulaC117H127FN34O6
Molecular Weight2124.53 g/mol
Exact Mass2123.07
IUPAC Name1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
SMILESCC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)nn2)CC1.CN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)nn2)CC1.CN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCN(CCF)CC5)nn4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)cn1
InChIInChI=1S/C25H29N7O.C24H26FN7O.C23H25N7O.C23H24N6O2.C22H23N7O/c1-17(2)31-8-6-23(7-9-31)32-16-24(28-29-32)25(33)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-30(3)15-21;1-30-15-20(14-27-30)17-2-3-18-13-26-21(11-19(18)10-17)12-24(33)23-16-32(29-28-23)22-4-7-31(8-5-22)9-6-25;1-28-7-5-21(6-8-28)30-15-22(26-27-30)23(31)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-25-29(2)14-19;1-27-5-7-29(8-6-27)23-25-14-22(31-23)21(30)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-26-28(2)15-19;1-28-13-18(12-25-28)15-2-3-16-11-24-19(9-17(16)8-15)10-22(30)21-14-29(27-26-21)20-4-6-23-7-5-20/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;2-3,10-11,13-16,22H,4-9,12H2,1H3;3-4,9-10,12-15,21H,5-8,11H2,1-2H3;3-4,9-10,12-15H,5-8,11H2,1-2H3;2-3,8-9,11-14,20,23H,4-7,10H2,1H3
InChIKeyMPLMYMDTFACQHQ-UHFFFAOYSA-N
XLogP15.25
TPSA416.00 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002124.53
LogP ≤ 515.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Analyze 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;bis(5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine)
CID 167595203
5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 167648410
1-[2-(4-Methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147861601
1-(2-Cyclohexyl-1,3-oxazol-4-yl)-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 157791987
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3R)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[2-[3-(2-methylphenyl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[2-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(4-methyl-2-pyridinyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;7-(oxan-4-ylamino)-N-[2-(3-pyrazin-2-ylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
CID 159504880
2-[6-(5-Fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone;2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone;1-(7-fluoro-6-pyridin-3-ylisoquinolin-3-yl)-3-piperidin-1-ylpropan-2-one;2-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone;1-(2-piperidin-4-yl-1,3-oxazol-4-yl)-2-(6-pyridin-3-ylisoquinolin-3-yl)ethanone
CID 159655171
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
CID 159975561
1-(1-Cyclopropylpyrazol-4-yl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 160066003
1-(1-Cyclopropylpyrazol-4-yl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propylpiperidin-4-yl)triazol-4-yl]ethanone
CID 160990451
8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide
CID 161003012
1-[1-[1-(2-Fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 161060459
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-ethoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine
CID 167545060

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone?
The IUPAC name of 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone (CID 159633630) is 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone is CC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)nn2)CC1.CN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)nn2)CC1.CN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCN(CCF)CC5)nn4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)cn1.
What is the InChIKey of 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone?
The InChIKey is MPLMYMDTFACQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O.C24H26FN7O.C23H25N7O.C23H24N6O2.C22H23N7O/c1-17(2)31-8-6-23(7-9-31)32-16-24(28-29-32)25(33)12-22-11-20-10-18(4-5-19(20)13-26-22)21-14-27-30(3)15-21;1-30-15-20(14-27-30)17-2-3-18-13-26-21(11-19(18)10-17)12-24(33)23-16-32(29-28-23)22-4-7-31(8-5-22)9-6-25;1-28-7-5-21(6-8-28)30-15-22(26-27-30)23(31)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-25-29(2)14-19;1-27-5-7-29(8-6-27)23-25-14-22(31-23)21(30)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-26-28(2)15-19;1-28-13-18(12-25-28)15-2-3-16-11-24-19(9-17(16)8-15)10-22(30)21-14-29(27-26-21)20-4-6-23-7-5-20/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;2-3,10-11,13-16,22H,4-9,12H2,1H3;3-4,9-10,12-15,21H,5-8,11H2,1-2H3;3-4,9-10,12-15H,5-8,11H2,1-2H3;2-3,8-9,11-14,20,23H,4-7,10H2,1H3.
What are the key properties of 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone?
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone has a molecular weight of 2124.53 g/mol, XLogP of 15.25, 28 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone is sourced from PubChem (CID 159633630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).