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

C115H126FN37O6 — CID 161060459

IUPAC1-[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
SMILESCC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)cn2)CC1.CC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)nn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCN(CCF)CC5)nn4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)c4coc(C5CCNCC5)n4)cc3c2)nn1
InChIInChI=1S/C25H29N7O.C24H28N8O.C23H25FN8O.C22H22N6O2.C21H22N8O/c1-17(2)31-8-6-23(7-9-31)32-15-21(14-27-32)25(33)12-22-11-20-10-18(4-5-19(20)13-26-22)24-16-30(3)29-28-24;1-16(2)31-8-6-21(7-9-31)32-15-23(27-29-32)24(33)12-20-11-19-10-17(4-5-18(19)13-25-20)22-14-30(3)28-26-22;1-30-14-21(26-28-30)16-2-3-17-13-25-19(11-18(17)10-16)12-23(33)22-15-32(29-27-22)20-4-7-31(8-5-20)9-6-24;1-28-12-19(26-27-28)15-2-3-16-11-24-18(9-17(16)8-15)10-21(29)20-13-30-22(25-20)14-4-6-23-7-5-14;1-28-12-19(24-26-28)14-2-3-15-11-23-17(9-16(15)8-14)10-21(30)20-13-29(27-25-20)18-4-6-22-7-5-18/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;4-5,10-11,13-16,21H,6-9,12H2,1-3H3;2-3,10-11,13-15,20H,4-9,12H2,1H3;2-3,8-9,11-14,23H,4-7,10H2,1H3;2-3,8-9,11-13,18,22H,4-7,10H2,1H3
InChIKeyUDIBIMCHZGRPKE-UHFFFAOYSA-N
MW2141.52 g/mol
LogP14.33
Rot. Bonds29

About 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

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 (PubChem CID 161060459) has the molecular formula C115H126FN37O6 and a molecular weight of 2141.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID161060459
Molecular FormulaC115H126FN37O6
Molecular Weight2141.52 g/mol
Exact Mass2140.07
IUPAC Name1-[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
SMILESCC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)cn2)CC1.CC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)nn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCN(CCF)CC5)nn4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)c4coc(C5CCNCC5)n4)cc3c2)nn1
InChIInChI=1S/C25H29N7O.C24H28N8O.C23H25FN8O.C22H22N6O2.C21H22N8O/c1-17(2)31-8-6-23(7-9-31)32-15-21(14-27-32)25(33)12-22-11-20-10-18(4-5-19(20)13-26-22)24-16-30(3)29-28-24;1-16(2)31-8-6-21(7-9-31)32-15-23(27-29-32)24(33)12-20-11-19-10-17(4-5-18(19)13-25-20)22-14-30(3)28-26-22;1-30-14-21(26-28-30)16-2-3-17-13-25-19(11-18(17)10-16)12-23(33)22-15-32(29-27-22)20-4-7-31(8-5-20)9-6-24;1-28-12-19(26-27-28)15-2-3-16-11-24-18(9-17(16)8-15)10-21(29)20-13-30-22(25-20)14-4-6-23-7-5-14;1-28-12-19(24-26-28)14-2-3-15-11-23-17(9-16(15)8-14)10-21(30)20-13-29(27-25-20)18-4-6-22-7-5-18/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;4-5,10-11,13-16,21H,6-9,12H2,1-3H3;2-3,10-11,13-15,20H,4-9,12H2,1H3;2-3,8-9,11-14,23H,4-7,10H2,1H3;2-3,8-9,11-13,18,22H,4-7,10H2,1H3
InChIKeyUDIBIMCHZGRPKE-UHFFFAOYSA-N
XLogP14.33
TPSA473.11 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds29
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.52
LogP ≤ 514.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 153130496
N-[3-carbamoyl-1-[4-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 159583614
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-pyridin-2-yl-1,3-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide
CID 161654745
6-(1,3-dihydroisoindol-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167666770
6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167667985
2-[6-(1-Methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 147846371
1-(2-Piperidin-4-yl-1,3-oxazol-4-yl)-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 148453965
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
2-[6-(1-Methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 157791988
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
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
1-[2-[3-(Dimethylamino)azetidin-1-yl]-1,3-thiazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 159876084

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)cn2)CC1.CC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)nn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCN(CCF)CC5)nn4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)c4coc(C5CCNCC5)n4)cc3c2)nn1.
What is the InChIKey of 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?
The InChIKey is UDIBIMCHZGRPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O.C24H28N8O.C23H25FN8O.C22H22N6O2.C21H22N8O/c1-17(2)31-8-6-23(7-9-31)32-15-21(14-27-32)25(33)12-22-11-20-10-18(4-5-19(20)13-26-22)24-16-30(3)29-28-24;1-16(2)31-8-6-21(7-9-31)32-15-23(27-29-32)24(33)12-20-11-19-10-17(4-5-18(19)13-25-20)22-14-30(3)28-26-22;1-30-14-21(26-28-30)16-2-3-17-13-25-19(11-18(17)10-16)12-23(33)22-15-32(29-27-22)20-4-7-31(8-5-20)9-6-24;1-28-12-19(26-27-28)15-2-3-16-11-24-18(9-17(16)8-15)10-21(29)20-13-30-22(25-20)14-4-6-23-7-5-14;1-28-12-19(24-26-28)14-2-3-15-11-23-17(9-16(15)8-14)10-21(30)20-13-29(27-25-20)18-4-6-22-7-5-18/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;4-5,10-11,13-16,21H,6-9,12H2,1-3H3;2-3,10-11,13-15,20H,4-9,12H2,1H3;2-3,8-9,11-14,23H,4-7,10H2,1H3;2-3,8-9,11-13,18,22H,4-7,10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2141.52 g/mol, XLogP of 14.33, 29 rotatable bonds, 2 hydrogen bond donors, and 43 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-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 is sourced from PubChem (CID 161060459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).