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

C115H126N36O5 — CID 160990451

IUPAC1-(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
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.CCCN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)nn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)nn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cnn(C4CC4)c3)cc2c1
InChIInChI=1S/C25H29N7O.2C24H28N8O.C21H22N8O.C21H19N5O/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;1-3-8-31-9-6-21(7-10-31)32-16-23(27-29-32)24(33)13-20-12-19-11-17(4-5-18(19)14-25-20)22-15-30(2)28-26-22;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;1-25-13-22-11-20(25)14-2-3-15-9-23-18(7-16(15)6-14)8-21(27)17-10-24-26(12-17)19-4-5-19/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;4-5,10-11,13-16,21H,6-9,12H2,1-3H3;4-5,11-12,14-16,21H,3,6-10,13H2,1-2H3;2-3,8-9,11-13,18,22H,4-7,10H2,1H3;2-3,6-7,9-13,19H,4-5,8H2,1H3
InChIKeyTUOAAAMMWZEZQR-UHFFFAOYSA-N
MW2092.52 g/mol
LogP15.45
Rot. Bonds29

About 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

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 (PubChem CID 160990451) has the molecular formula C115H126N36O5 and a molecular weight of 2092.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID160990451
Molecular FormulaC115H126N36O5
Molecular Weight2092.52 g/mol
Exact Mass2091.07
IUPAC Name1-(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
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.CCCN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)nn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)nn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cnn(C4CC4)c3)cc2c1
InChIInChI=1S/C25H29N7O.2C24H28N8O.C21H22N8O.C21H19N5O/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;1-3-8-31-9-6-21(7-10-31)32-16-23(27-29-32)24(33)13-20-12-19-11-17(4-5-18(19)14-25-20)22-15-30(2)28-26-22;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;1-25-13-22-11-20(25)14-2-3-15-9-23-18(7-16(15)6-14)8-21(27)17-10-24-26(12-17)19-4-5-19/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;4-5,10-11,13-16,21H,6-9,12H2,1-3H3;4-5,11-12,14-16,21H,3,6-10,13H2,1-2H3;2-3,8-9,11-13,18,22H,4-7,10H2,1H3;2-3,6-7,9-13,19H,4-5,8H2,1H3
InChIKeyTUOAAAMMWZEZQR-UHFFFAOYSA-N
XLogP15.45
TPSA439.98 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds29
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002092.52
LogP ≤ 515.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157988375
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158222114
1-[1-(1-amino-4a,5-dihydroisoquinolin-7-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]ethanone;N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-3-(1-aminoisoquinolin-7-yl)-1-methylimidazol-1-ium-4-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone
CID 158486095
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159061922
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159083083
5-[(2R,3S)-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide;5-[(1-cyclopropylpyrazol-4-yl)amino]-3-[(2R,3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-4,4-difluoro-2-methylpiperidin-1-yl]-1,2,4-triazine-6-carboxamide;3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(5R)-5-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3,3-difluoropiperidin-1-yl]pyrazine-2-carboxamide;5-[(5R)-5-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrrol-3-yl)amino]pyrazine-2-carboxamide
CID 159408547
2,6-difluoro-N-[5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]-2-pyridinyl]benzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-methylbenzamide
CID 159408728
2-[3-[2-(Dimethylamino)ethylamino]-5-[2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]acetyl]phenyl]-2-methylpropanenitrile;2-[3-[2-(dimethylamino)ethyl-methylamino]-5-[2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]acetyl]phenyl]-2-methylpropanenitrile;2-[3-[2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-2-methylpropanenitrile;1-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone
CID 159432360
1-[4-(3-Aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-ethylphenyl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methylphenyl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 160157012
6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[5-fluoro-2-[6-(trideuteriomethyl)-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)phenyl]-3H-quinazolin-4-one;6-[2-(2-methylpyrimidin-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 160687214
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160745599
1-[3-[2-(Dimethylamino)ethylamino]-4-methyl-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[3-[2-(dimethylamino)ethyl-methylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[4-fluoro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]-1-[4-methyl-3-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)phenyl]ethanone
CID 160932198

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.CCCN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)nn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cn(C5CCNCC5)nn4)cc3c2)nn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cnn(C4CC4)c3)cc2c1.
What is the InChIKey of 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?
The InChIKey is TUOAAAMMWZEZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O.2C24H28N8O.C21H22N8O.C21H19N5O/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;1-3-8-31-9-6-21(7-10-31)32-16-23(27-29-32)24(33)13-20-12-19-11-17(4-5-18(19)14-25-20)22-15-30(2)28-26-22;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;1-25-13-22-11-20(25)14-2-3-15-9-23-18(7-16(15)6-14)8-21(27)17-10-24-26(12-17)19-4-5-19/h4-5,10-11,13-17,23H,6-9,12H2,1-3H3;4-5,10-11,13-16,21H,6-9,12H2,1-3H3;4-5,11-12,14-16,21H,3,6-10,13H2,1-2H3;2-3,8-9,11-13,18,22H,4-7,10H2,1H3;2-3,6-7,9-13,19H,4-5,8H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2092.52 g/mol, XLogP of 15.45, 29 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160990451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).