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

C189H197N42O7+ — CID 157117589

IUPAC1-[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
SMILESC=C(c1ccc(N2CCN(C)CC2)nc1)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc(N2CCN(C)CC2)n1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC[N+](C)(C)CC5)c4)cc3c2)cn1
InChIInChI=1S/C36H39N9O.C26H28N6O.C26H29N6O.C26H27N5O.C26H25N5O.C25H26N6O.C24H23N5O/c1-26(29-6-7-35(39-22-29)44-12-10-41(2)11-13-44)43-14-16-45(17-15-43)36-20-28(8-9-37-36)34(46)21-33-19-31-18-27(4-5-30(31)23-38-33)32-24-40-42(3)25-32;1-18-10-22(13-26(29-18)32-8-6-30(2)7-9-32)25(33)14-24-12-21-11-19(4-5-20(21)15-27-24)23-16-28-31(3)17-23;1-30-18-23(17-29-30)19-4-5-21-16-28-24(13-22(21)12-19)15-25(33)20-6-7-27-26(14-20)31-8-10-32(2,3)11-9-31;2*1-30-9-6-18(7-10-30)25-13-20(5-8-27-25)26(32)14-24-12-22-11-19(3-4-21(22)15-28-24)23-16-29-31(2)17-23;1-29(2)23-15-31(16-23)25-10-18(6-7-26-25)24(32)11-22-9-20-8-17(4-5-19(20)12-27-22)21-13-28-30(3)14-21;1-28-16-21(15-27-28)17-4-5-19-14-26-22(11-20(19)10-17)13-23(30)18-6-7-25-24(12-18)29-8-2-3-9-29/h4-9,18-20,22-25H,1,10-17,21H2,2-3H3;4-5,10-13,15-17H,6-9,14H2,1-3H3;4-7,12-14,16-18H,8-11,15H2,1-3H3;3-5,8,11-13,15-18H,6-7,9-10,14H2,1-2H3;3-6,8,11-13,15-17H,7,9-10,14H2,1-2H3;4-10,12-14,23H,11,15-16H2,1-3H3;4-7,10-12,14-16H,2-3,8-9,13H2,1H3/q;;+1;;;;
InChIKeySCDNLXOXABXCDF-UHFFFAOYSA-N
MW3168.94 g/mol
LogP26.96
Rot. Bonds39

About 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

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 (PubChem CID 157117589) has the molecular formula C189H197N42O7+ and a molecular weight of 3168.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157117589
Molecular FormulaC189H197N42O7+
Molecular Weight3168.94 g/mol
Exact Mass3166.63
IUPAC Name1-[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
SMILESC=C(c1ccc(N2CCN(C)CC2)nc1)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc(N2CCN(C)CC2)n1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC[N+](C)(C)CC5)c4)cc3c2)cn1
InChIInChI=1S/C36H39N9O.C26H28N6O.C26H29N6O.C26H27N5O.C26H25N5O.C25H26N6O.C24H23N5O/c1-26(29-6-7-35(39-22-29)44-12-10-41(2)11-13-44)43-14-16-45(17-15-43)36-20-28(8-9-37-36)34(46)21-33-19-31-18-27(4-5-30(31)23-38-33)32-24-40-42(3)25-32;1-18-10-22(13-26(29-18)32-8-6-30(2)7-9-32)25(33)14-24-12-21-11-19(4-5-20(21)15-27-24)23-16-28-31(3)17-23;1-30-18-23(17-29-30)19-4-5-21-16-28-24(13-22(21)12-19)15-25(33)20-6-7-27-26(14-20)31-8-10-32(2,3)11-9-31;2*1-30-9-6-18(7-10-30)25-13-20(5-8-27-25)26(32)14-24-12-22-11-19(3-4-21(22)15-28-24)23-16-29-31(2)17-23;1-29(2)23-15-31(16-23)25-10-18(6-7-26-25)24(32)11-22-9-20-8-17(4-5-19(20)12-27-22)21-13-28-30(3)14-21;1-28-16-21(15-27-28)17-4-5-19-14-26-22(11-20(19)10-17)13-23(30)18-6-7-25-24(12-18)29-8-2-3-9-29/h4-9,18-20,22-25H,1,10-17,21H2,2-3H3;4-5,10-13,15-17H,6-9,14H2,1-3H3;4-7,12-14,16-18H,8-11,15H2,1-3H3;3-5,8,11-13,15-18H,6-7,9-10,14H2,1-2H3;3-6,8,11-13,15-17H,7,9-10,14H2,1-2H3;4-10,12-14,23H,11,15-16H2,1-3H3;4-7,10-12,14-16H,2-3,8-9,13H2,1H3/q;;+1;;;;
InChIKeySCDNLXOXABXCDF-UHFFFAOYSA-N
XLogP26.96
TPSA476.46 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds39
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003168.94
LogP ≤ 526.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(2-Fluoroethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147563351
N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylnaphthalen-1-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 157224718
2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]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;2-fluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 157943421
(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
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
N-[5-[3-(2,6-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-methylbenzamide;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;2-fluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 161645545
1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[1-methyl-5-(2-methyl-4-oxo-3H-quinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[1-methyl-5-(2-methylquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1-methyl-5-quinolin-6-ylpyrazol-3-yl)urea
CID 162233694
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 87688970
[(3R)-3-methyl-4-[4-[3-[2-[(3R)-3-methyl-4-[4-[4-[3-[(3R)-3-methyl-4-(4-pyrrol-1-ylphthalazin-1-yl)piperazine-1-carbonyl]phenyl]indol-1-yl]phthalazin-1-yl]piperazine-1-carbonyl]phenyl]pyrazol-1-yl]phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
CID 145540568
2-[1-Amino-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147054915
2-[6-[1-Methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
CID 147108719
2-[6-(1-Cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147149946

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(c1ccc(N2CCN(C)CC2)nc1)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc(N2CCN(C)CC2)n1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC[N+](C)(C)CC5)c4)cc3c2)cn1.
What is the InChIKey of 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?
The InChIKey is SCDNLXOXABXCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N9O.C26H28N6O.C26H29N6O.C26H27N5O.C26H25N5O.C25H26N6O.C24H23N5O/c1-26(29-6-7-35(39-22-29)44-12-10-41(2)11-13-44)43-14-16-45(17-15-43)36-20-28(8-9-37-36)34(46)21-33-19-31-18-27(4-5-30(31)23-38-33)32-24-40-42(3)25-32;1-18-10-22(13-26(29-18)32-8-6-30(2)7-9-32)25(33)14-24-12-21-11-19(4-5-20(21)15-27-24)23-16-28-31(3)17-23;1-30-18-23(17-29-30)19-4-5-21-16-28-24(13-22(21)12-19)15-25(33)20-6-7-27-26(14-20)31-8-10-32(2,3)11-9-31;2*1-30-9-6-18(7-10-30)25-13-20(5-8-27-25)26(32)14-24-12-22-11-19(3-4-21(22)15-28-24)23-16-29-31(2)17-23;1-29(2)23-15-31(16-23)25-10-18(6-7-26-25)24(32)11-22-9-20-8-17(4-5-19(20)12-27-22)21-13-28-30(3)14-21;1-28-16-21(15-27-28)17-4-5-19-14-26-22(11-20(19)10-17)13-23(30)18-6-7-25-24(12-18)29-8-2-3-9-29/h4-9,18-20,22-25H,1,10-17,21H2,2-3H3;4-5,10-13,15-17H,6-9,14H2,1-3H3;4-7,12-14,16-18H,8-11,15H2,1-3H3;3-5,8,11-13,15-18H,6-7,9-10,14H2,1-2H3;3-6,8,11-13,15-17H,7,9-10,14H2,1-2H3;4-10,12-14,23H,11,15-16H2,1-3H3;4-7,10-12,14-16H,2-3,8-9,13H2,1H3/q;;+1;;;;.
What are the key properties of 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?
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 has a molecular weight of 3168.94 g/mol, XLogP of 26.96, 39 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157117589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).