2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one

C158H158F2N26O8 — CID 159661343

IUPAC2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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(-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(c2cc(C(=O)Cc3cc4cc(-c5cnn(C6CC6)c5)ccc4cn3)ccn2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.Cc1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cc1
InChIInChI=1S/C28H29FN4O2.C28H29N5O2.C27H28N6O.C27H28N4O.C26H25FN4O.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;1-31-8-10-32(11-9-31)27-14-20(6-7-28-27)26(34)15-24-13-22-12-19(2-3-21(22)16-29-24)23-17-30-33(18-23)25-4-5-25;1-19-3-5-20(6-4-19)27(32)15-25-14-23-13-21(7-8-22(23)16-28-25)24-17-29-31(18-24)26-9-11-30(2)12-10-26;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;1-15-3-5-16(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;2-3,6-7,12-14,16-18,25H,4-5,8-11,15H2,1H3;3-8,13-14,16-18,26H,9-12,15H2,1-2H3;2-6,11-13,15-17,25H,7-10,14H2,1H3;3-10,12-14H,11H2,1-2H3
InChIKeyMSVQMGSBKZRMKJ-UHFFFAOYSA-N
MW2587.17 g/mol
LogP28.67
Rot. Bonds34

About 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one

2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one (PubChem CID 159661343) has the molecular formula C158H158F2N26O8 and a molecular weight of 2587.17 g/mol. Its IUPAC name is 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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 Name2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one
PubChem CID159661343
Molecular FormulaC158H158F2N26O8
Molecular Weight2587.17 g/mol
Exact Mass2585.27
IUPAC Name2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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(-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(c2cc(C(=O)Cc3cc4cc(-c5cnn(C6CC6)c5)ccc4cn3)ccn2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.Cc1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cc1
InChIInChI=1S/C28H29FN4O2.C28H29N5O2.C27H28N6O.C27H28N4O.C26H25FN4O.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;1-31-8-10-32(11-9-31)27-14-20(6-7-28-27)26(34)15-24-13-22-12-19(2-3-21(22)16-29-24)23-17-30-33(18-23)25-4-5-25;1-19-3-5-20(6-4-19)27(32)15-25-14-23-13-21(7-8-22(23)16-28-25)24-17-29-31(18-24)26-9-11-30(2)12-10-26;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;1-15-3-5-16(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;2-3,6-7,12-14,16-18,25H,4-5,8-11,15H2,1H3;3-8,13-14,16-18,26H,9-12,15H2,1-2H3;2-6,11-13,15-17,25H,7-10,14H2,1H3;3-10,12-14H,11H2,1-2H3
InChIKeyMSVQMGSBKZRMKJ-UHFFFAOYSA-N
XLogP28.67
TPSA358.20 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002587.17
LogP ≤ 528.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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

3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073829
3-[4-[4-Amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073834
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methylphenyl)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 157614925
[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;(3-methoxypyrazin-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;(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;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 157752910
[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
1-[6-[5-methyl-2-[[2-(oxan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 158172230
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one (CID 159661343) is 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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(-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(c2cc(C(=O)Cc3cc4cc(-c5cnn(C6CC6)c5)ccc4cn3)ccn2)CC1.Cc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.Cc1ccc(C(=O)Cc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cc1.
What is the InChIKey of 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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 MSVQMGSBKZRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2.C28H29N5O2.C27H28N6O.C27H28N4O.C26H25FN4O.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;1-31-8-10-32(11-9-31)27-14-20(6-7-28-27)26(34)15-24-13-22-12-19(2-3-21(22)16-29-24)23-17-30-33(18-23)25-4-5-25;1-19-3-5-20(6-4-19)27(32)15-25-14-23-13-21(7-8-22(23)16-28-25)24-17-29-31(18-24)26-9-11-30(2)12-10-26;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;1-15-3-5-16(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;2-3,6-7,12-14,16-18,25H,4-5,8-11,15H2,1H3;3-8,13-14,16-18,26H,9-12,15H2,1-2H3;2-6,11-13,15-17,25H,7-10,14H2,1H3;3-10,12-14H,11H2,1-2H3.
What are the key properties of 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[5-[2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]-2-pyridinyl]propan-1-one?
2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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 2587.17 g/mol, XLogP of 28.67, 34 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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;1-(4-methylphenyl)-2-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]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 159661343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).