1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

C206H214N46O8 — CID 157291495

IUPAC1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCCn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1.CN1CC2CC1CN2c1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)ccn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6CCC5C6)c4)cc3c2)cn1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cn[nH]c5)ccc4cn3)ccn2)CC1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C([2H])([2H])[2H])c5)ccc4cn3)ccn2)CC1.[2H]c1nc(CC(=O)c2ccnc(N3CCCCC3)c2)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C(C)C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C27H30N6O.C26H26N6O.2C26H28N6O.C26H25N5O.2C25H26N6O.C25H25N5O/c1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-28-27)26(34)15-25-13-23-12-20(4-5-22(23)16-29-25)24-17-30-31(3)18-24;1-30-15-24-11-23(30)16-32(24)26-9-18(5-6-27-26)25(33)10-22-8-20-7-17(3-4-19(20)12-28-22)21-13-29-31(2)14-21;1-3-31-8-10-32(11-9-31)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-30(2)18-23;1-3-32-18-23(17-29-32)19-4-5-21-16-28-24(13-22(21)12-19)15-25(33)20-6-7-27-26(14-20)31-10-8-30(2)9-11-31;1-30-16-22(14-29-30)18-3-4-20-13-28-23(10-21(20)9-18)12-25(32)19-6-7-27-26(11-19)31-15-17-2-5-24(31)8-17;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-2-30-7-9-31(10-8-30)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(22-16-28-29-17-22)3-4-20(21)15-27-23;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30/h4-7,12-14,16-19H,8-11,15H2,1-3H3;3-9,12-14,23-24H,10-11,15-16H2,1-2H3;2*4-7,12-14,16-18H,3,8-11,15H2,1-2H3;3-4,6-7,9-11,13-14,16-17,24H,2,5,8,12,15H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;3-6,11-13,15-17H,2,7-10,14H2,1H3,(H,28,29);5-8,11-13,15-17H,2-4,9-10,14H2,1H3/i16D;;2D3,3D2;;;15D;2D2;15D
InChIKeyBAVXWKUZVKTFLG-RNFFECHHSA-N
MW3472.35 g/mol
LogP30.31
Rot. Bonds45

About 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (PubChem CID 157291495) has the molecular formula C206H214N46O8 and a molecular weight of 3472.35 g/mol. Its IUPAC name is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
PubChem CID157291495
Molecular FormulaC206H214N46O8
Molecular Weight3472.35 g/mol
Exact Mass3469.84
IUPAC Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCCn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1.CN1CC2CC1CN2c1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)ccn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6CCC5C6)c4)cc3c2)cn1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cn[nH]c5)ccc4cn3)ccn2)CC1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C([2H])([2H])[2H])c5)ccc4cn3)ccn2)CC1.[2H]c1nc(CC(=O)c2ccnc(N3CCCCC3)c2)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C(C)C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C27H30N6O.C26H26N6O.2C26H28N6O.C26H25N5O.2C25H26N6O.C25H25N5O/c1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-28-27)26(34)15-25-13-23-12-20(4-5-22(23)16-29-25)24-17-30-31(3)18-24;1-30-15-24-11-23(30)16-32(24)26-9-18(5-6-27-26)25(33)10-22-8-20-7-17(3-4-19(20)12-28-22)21-13-29-31(2)14-21;1-3-31-8-10-32(11-9-31)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-30(2)18-23;1-3-32-18-23(17-29-32)19-4-5-21-16-28-24(13-22(21)12-19)15-25(33)20-6-7-27-26(14-20)31-10-8-30(2)9-11-31;1-30-16-22(14-29-30)18-3-4-20-13-28-23(10-21(20)9-18)12-25(32)19-6-7-27-26(11-19)31-15-17-2-5-24(31)8-17;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-2-30-7-9-31(10-8-30)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(22-16-28-29-17-22)3-4-20(21)15-27-23;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30/h4-7,12-14,16-19H,8-11,15H2,1-3H3;3-9,12-14,23-24H,10-11,15-16H2,1-2H3;2*4-7,12-14,16-18H,3,8-11,15H2,1-2H3;3-4,6-7,9-11,13-14,16-17,24H,2,5,8,12,15H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;3-6,11-13,15-17H,2,7-10,14H2,1H3,(H,28,29);5-8,11-13,15-17H,2-4,9-10,14H2,1H3/i16D;;2D3,3D2;;;15D;2D2;15D
InChIKeyBAVXWKUZVKTFLG-RNFFECHHSA-N
XLogP30.31
TPSA541.58 Ų
H-Bond Donors1
H-Bond Acceptors53
Rotatable Bonds45
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003472.35
LogP ≤ 530.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1053

Analyze 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 158501036
(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 159938994
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-isoquinolin-7-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide
CID 160511465
CID 160530006
CID 160530006
CID 167695909
CID 167695909
1-[2-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147908680
1-[2-(5-Methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 149374733
2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone
CID 152989562
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 152989563
1-(1-Cyclohexylimidazol-4-yl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclopropylpyrazol-4-yl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrazol-3-yl)ethanone;1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylimidazol-4-yl)ethanone;1-(1-methylimidazol-4-yl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 157051338
(2S)-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrol-3-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrol-3-yl]-2-pyridinyl]-2-phenylacetamide
CID 157110229
1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4,4-dimethylpiperazin-4-ium-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-[1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
CID 157117589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (CID 157291495) is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is CCn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1.CN1CC2CC1CN2c1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)ccn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6CCC5C6)c4)cc3c2)cn1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cn[nH]c5)ccc4cn3)ccn2)CC1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C([2H])([2H])[2H])c5)ccc4cn3)ccn2)CC1.[2H]c1nc(CC(=O)c2ccnc(N3CCCCC3)c2)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C(C)C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The InChIKey is BAVXWKUZVKTFLG-RNFFECHHSA-N. The full InChI is InChI=1S/C27H30N6O.C26H26N6O.2C26H28N6O.C26H25N5O.2C25H26N6O.C25H25N5O/c1-19(2)32-8-10-33(11-9-32)27-14-21(6-7-28-27)26(34)15-25-13-23-12-20(4-5-22(23)16-29-25)24-17-30-31(3)18-24;1-30-15-24-11-23(30)16-32(24)26-9-18(5-6-27-26)25(33)10-22-8-20-7-17(3-4-19(20)12-28-22)21-13-29-31(2)14-21;1-3-31-8-10-32(11-9-31)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-30(2)18-23;1-3-32-18-23(17-29-32)19-4-5-21-16-28-24(13-22(21)12-19)15-25(33)20-6-7-27-26(14-20)31-10-8-30(2)9-11-31;1-30-16-22(14-29-30)18-3-4-20-13-28-23(10-21(20)9-18)12-25(32)19-6-7-27-26(11-19)31-15-17-2-5-24(31)8-17;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-2-30-7-9-31(10-8-30)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(22-16-28-29-17-22)3-4-20(21)15-27-23;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30/h4-7,12-14,16-19H,8-11,15H2,1-3H3;3-9,12-14,23-24H,10-11,15-16H2,1-2H3;2*4-7,12-14,16-18H,3,8-11,15H2,1-2H3;3-4,6-7,9-11,13-14,16-17,24H,2,5,8,12,15H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;3-6,11-13,15-17H,2,7-10,14H2,1H3,(H,28,29);5-8,11-13,15-17H,2-4,9-10,14H2,1H3/i16D;;2D3,3D2;;;15D;2D2;15D.
What are the key properties of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone has a molecular weight of 3472.35 g/mol, XLogP of 30.31, 45 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 157291495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).