1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one

C179H175F3N28O10 — CID 158624699

IUPAC1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one
SMILESCC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cc1.CCC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cn1.CN1CCC(n2cc(-c3ccc4cnc(CC(=O)c5cccc(F)c5)cc4c3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(N4CCCCC4)c3)cc2c1
InChIInChI=1S/C28H29FN4O2.C28H29N5O2.C26H25FN4O.C26H27N5O.C26H26N4O.C23H20FN3O2.C22H19N3O/c1-19(29)35-27-7-5-20(6-8-27)28(34)15-25-14-23-13-21(3-4-22(23)16-30-25)24-17-31-33(18-24)26-9-11-32(2)12-10-26;1-3-27(34)26-7-6-21(16-30-26)28(35)14-24-13-22-12-19(4-5-20(22)15-29-24)23-17-31-33(18-23)25-8-10-32(2)11-9-25;1-30-9-7-25(8-10-30)31-17-22(16-29-31)18-5-6-20-15-28-24(13-21(20)11-18)14-26(32)19-3-2-4-23(27)12-19;1-29-8-10-31(11-9-29)24-5-3-4-20(14-24)26(32)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-27-18-30(25)2;1-29-18-27-17-25(29)19-8-9-21-16-28-23(13-22(21)12-19)15-26(31)20-6-5-7-24(14-20)30-10-3-2-4-11-30;1-15(24)29-21-7-5-16(6-8-21)23(28)11-20-10-19-9-17(3-4-18(19)12-26-20)22-13-25-14-27(22)2;1-15-3-5-16(6-4-15)22(26)11-20-10-19-9-17(7-8-18(19)12-24-20)21-13-23-14-25(21)2/h3-8,13-14,16-19,26H,9-12,15H2,1-2H3;4-7,12-13,15-18,25H,3,8-11,14H2,1-2H3;2-6,11-13,15-17,25H,7-10,14H2,1H3;3-7,12-14,16-18H,8-11,15H2,1-2H3;5-9,12-14,16-18H,2-4,10-11,15H2,1H3;3-10,12-15H,11H2,1-2H3;3-10,12-14H,11H2,1-2H3
InChIKeyHYLCPSNNBNTSIH-UHFFFAOYSA-N
MW2935.55 g/mol
LogP33.18
Rot. Bonds39

About 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one

1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one (PubChem CID 158624699) has the molecular formula C179H175F3N28O10 and a molecular weight of 2935.55 g/mol. Its IUPAC name is 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one
PubChem CID158624699
Molecular FormulaC179H175F3N28O10
Molecular Weight2935.55 g/mol
Exact Mass2933.40
IUPAC Name1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one
SMILESCC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cc1.CCC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cn1.CN1CCC(n2cc(-c3ccc4cnc(CC(=O)c5cccc(F)c5)cc4c3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(N4CCCCC4)c3)cc2c1
InChIInChI=1S/C28H29FN4O2.C28H29N5O2.C26H25FN4O.C26H27N5O.C26H26N4O.C23H20FN3O2.C22H19N3O/c1-19(29)35-27-7-5-20(6-8-27)28(34)15-25-14-23-13-21(3-4-22(23)16-30-25)24-17-31-33(18-24)26-9-11-32(2)12-10-26;1-3-27(34)26-7-6-21(16-30-26)28(35)14-24-13-22-12-19(4-5-20(22)15-29-24)23-17-31-33(18-23)25-8-10-32(2)11-9-25;1-30-9-7-25(8-10-30)31-17-22(16-29-31)18-5-6-20-15-28-24(13-21(20)11-18)14-26(32)19-3-2-4-23(27)12-19;1-29-8-10-31(11-9-29)24-5-3-4-20(14-24)26(32)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-27-18-30(25)2;1-29-18-27-17-25(29)19-8-9-21-16-28-23(13-22(21)12-19)15-26(31)20-6-5-7-24(14-20)30-10-3-2-4-11-30;1-15(24)29-21-7-5-16(6-8-21)23(28)11-20-10-19-9-17(3-4-18(19)12-26-20)22-13-25-14-27(22)2;1-15-3-5-16(6-4-15)22(26)11-20-10-19-9-17(7-8-18(19)12-24-20)21-13-23-14-25(21)2/h3-8,13-14,16-19,26H,9-12,15H2,1-2H3;4-7,12-13,15-18,25H,3,8-11,14H2,1-2H3;2-6,11-13,15-17,25H,7-10,14H2,1H3;3-7,12-14,16-18H,8-11,15H2,1-2H3;5-9,12-14,16-18H,2-4,10-11,15H2,1H3;3-10,12-15H,11H2,1-2H3;3-10,12-14H,11H2,1-2H3
InChIKeyHYLCPSNNBNTSIH-UHFFFAOYSA-N
XLogP33.18
TPSA402.32 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002935.55
LogP ≤ 533.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[7-[(6-Cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 157097543
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 157724632
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 157795019
[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-fluoro-3-(2-fluoropropan-2-yl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157999380
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158038819
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158062369
7-[(2-Chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 158138655
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[6-(1,1-difluoroethyl)-5-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methoxy-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide;methane
CID 158220183
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 158641643
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(3-imidazo[1,2-a]pyrimidin-2-ylpropanoylamino)phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-[4-methoxy-3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 158646025
[3-Fluoro-2-(triazol-2-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158749843
(4-Methoxy-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159227561

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one (CID 158624699) is 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one is CC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cc1.CCC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cn1.CN1CCC(n2cc(-c3ccc4cnc(CC(=O)c5cccc(F)c5)cc4c3)cn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(N4CCCCC4)c3)cc2c1.
What is the InChIKey of 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one?
The InChIKey is HYLCPSNNBNTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2.C28H29N5O2.C26H25FN4O.C26H27N5O.C26H26N4O.C23H20FN3O2.C22H19N3O/c1-19(29)35-27-7-5-20(6-8-27)28(34)15-25-14-23-13-21(3-4-22(23)16-30-25)24-17-31-33(18-24)26-9-11-32(2)12-10-26;1-3-27(34)26-7-6-21(16-30-26)28(35)14-24-13-22-12-19(4-5-20(22)15-29-24)23-17-31-33(18-23)25-8-10-32(2)11-9-25;1-30-9-7-25(8-10-30)31-17-22(16-29-31)18-5-6-20-15-28-24(13-21(20)11-18)14-26(32)19-3-2-4-23(27)12-19;1-29-8-10-31(11-9-29)24-5-3-4-20(14-24)26(32)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-27-18-30(25)2;1-29-18-27-17-25(29)19-8-9-21-16-28-23(13-22(21)12-19)15-26(31)20-6-5-7-24(14-20)30-10-3-2-4-11-30;1-15(24)29-21-7-5-16(6-8-21)23(28)11-20-10-19-9-17(3-4-18(19)12-26-20)22-13-25-14-27(22)2;1-15-3-5-16(6-4-15)22(26)11-20-10-19-9-17(7-8-18(19)12-24-20)21-13-23-14-25(21)2/h3-8,13-14,16-19,26H,9-12,15H2,1-2H3;4-7,12-13,15-18,25H,3,8-11,14H2,1-2H3;2-6,11-13,15-17,25H,7-10,14H2,1H3;3-7,12-14,16-18H,8-11,15H2,1-2H3;5-9,12-14,16-18H,2-4,10-11,15H2,1H3;3-10,12-15H,11H2,1-2H3;3-10,12-14H,11H2,1-2H3.
What are the key properties of 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one?
1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one has a molecular weight of 2935.55 g/mol, XLogP of 33.18, 39 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-(3-fluorophenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(4-methylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 158624699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).