tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

C196H201FN34O19S2 — CID 167676753

IUPACtert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
SMILESC=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(N(C)c5cnn(C6CCN(S(=O)(=O)C(C)(C)C)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6(C)CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5ncc(C6CCN(C(=O)C7(C)CCC7)CC6)s5)ccc2c34)C(=O)N1.C=C1CC[C@H](N2C(=O)c3cccc4c(Nc5ccc(CN6CCN(c7ccc(C#N)cc7F)CC6)cc5)ccc2c34)C(=O)N1
InChIInChI=1S/C35H31FN6O2.C35H34N6O3.C34H32N6O3.C31H35N5O4.C31H33N5O3S.C30H36N6O4S/c1-22-5-12-32(34(43)38-22)42-31-14-11-29(26-3-2-4-27(33(26)31)35(42)44)39-25-9-6-23(7-10-25)21-40-15-17-41(18-16-40)30-13-8-24(20-37)19-28(30)36;1-16-6-8-22(31(42)37-16)41-21-9-7-20(18-4-3-5-19(23(18)21)32(41)43)38-17-14-36-40(15-17)34(2)10-12-39(13-11-34)33(44)35-28-25-24-26(28)30(35)27(24)29(25)35;1-15-5-7-22(31(41)36-15)40-21-8-6-20(18-3-2-4-19(23(18)21)32(40)42)37-16-13-35-39(14-16)17-9-11-38(12-10-17)33(43)34-28-25-24-26(28)30(34)27(24)29(25)34;1-19-8-10-26(28(37)33-19)36-25-11-9-21(23-6-5-7-24(27(23)25)29(36)38)16-20-17-32-35(18-20)22-12-14-34(15-13-22)30(39)40-31(2,3)4;1-18-7-9-24(27(37)33-18)36-23-10-8-22(20-5-3-6-21(26(20)23)28(36)38)34-30-32-17-25(40-30)19-11-15-35(16-12-19)29(39)31(2)13-4-14-31;1-19-9-10-26(28(37)32-19)36-25-12-11-24(22-7-6-8-23(27(22)25)29(36)38)33(5)21-17-31-35(18-21)20-13-15-34(16-14-20)41(39,40)30(2,3)4/h2-4,6-11,13-14,19,32,39H,1,5,12,15-18,21H2,(H,38,43);3-5,7,9,14-15,22,24-30,38H,1,6,8,10-13H2,2H3,(H,37,42);2-4,6,8,13-14,17,22,24-30,37H,1,5,7,9-12H2,(H,36,41);5-7,9,11,17-18,22,26H,1,8,10,12-16H2,2-4H3,(H,33,37);3,5-6,8,10,17,19,24H,1,4,7,9,11-16H2,2H3,(H,32,34)(H,33,37);6-8,11-12,17-18,20,26H,1,9-10,13-16H2,2-5H3,(H,32,37)/t32-;;;;;/m0...../s1
InChIKeyUXVVFXQYPHJPBA-OUMQCAPYSA-N
MW3420.11 g/mol
LogP28.93
Rot. Bonds30

About tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (PubChem CID 167676753) has the molecular formula C196H201FN34O19S2 and a molecular weight of 3420.11 g/mol. Its IUPAC name is tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.

Molecular Properties

Compound Nametert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
PubChem CID167676753
Molecular FormulaC196H201FN34O19S2
Molecular Weight3420.11 g/mol
Exact Mass3417.52
IUPAC Nametert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
SMILESC=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(N(C)c5cnn(C6CCN(S(=O)(=O)C(C)(C)C)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6(C)CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5ncc(C6CCN(C(=O)C7(C)CCC7)CC6)s5)ccc2c34)C(=O)N1.C=C1CC[C@H](N2C(=O)c3cccc4c(Nc5ccc(CN6CCN(c7ccc(C#N)cc7F)CC6)cc5)ccc2c34)C(=O)N1
InChIInChI=1S/C35H31FN6O2.C35H34N6O3.C34H32N6O3.C31H35N5O4.C31H33N5O3S.C30H36N6O4S/c1-22-5-12-32(34(43)38-22)42-31-14-11-29(26-3-2-4-27(33(26)31)35(42)44)39-25-9-6-23(7-10-25)21-40-15-17-41(18-16-40)30-13-8-24(20-37)19-28(30)36;1-16-6-8-22(31(42)37-16)41-21-9-7-20(18-4-3-5-19(23(18)21)32(41)43)38-17-14-36-40(15-17)34(2)10-12-39(13-11-34)33(44)35-28-25-24-26(28)30(35)27(24)29(25)35;1-15-5-7-22(31(41)36-15)40-21-8-6-20(18-3-2-4-19(23(18)21)32(40)42)37-16-13-35-39(14-16)17-9-11-38(12-10-17)33(43)34-28-25-24-26(28)30(34)27(24)29(25)34;1-19-8-10-26(28(37)33-19)36-25-11-9-21(23-6-5-7-24(27(23)25)29(36)38)16-20-17-32-35(18-20)22-12-14-34(15-13-22)30(39)40-31(2,3)4;1-18-7-9-24(27(37)33-18)36-23-10-8-22(20-5-3-6-21(26(20)23)28(36)38)34-30-32-17-25(40-30)19-11-15-35(16-12-19)29(39)31(2)13-4-14-31;1-19-9-10-26(28(37)32-19)36-25-12-11-24(22-7-6-8-23(27(22)25)29(36)38)33(5)21-17-31-35(18-21)20-13-15-34(16-14-20)41(39,40)30(2,3)4/h2-4,6-11,13-14,19,32,39H,1,5,12,15-18,21H2,(H,38,43);3-5,7,9,14-15,22,24-30,38H,1,6,8,10-13H2,2H3,(H,37,42);2-4,6,8,13-14,17,22,24-30,37H,1,5,7,9-12H2,(H,36,41);5-7,9,11,17-18,22,26H,1,8,10,12-16H2,2-4H3,(H,33,37);3,5-6,8,10,17,19,24H,1,4,7,9,11-16H2,2H3,(H,32,34)(H,33,37);6-8,11-12,17-18,20,26H,1,9-10,13-16H2,2-5H3,(H,32,37)/t32-;;;;;/m0...../s1
InChIKeyUXVVFXQYPHJPBA-OUMQCAPYSA-N
XLogP28.93
TPSA590.11 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003420.11
LogP ≤ 528.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one 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

3-Fluoro-4-[3-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidin-1-yl]benzonitrile;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[methyl-[1-[1-[(1-methylcyclobutyl)methyl]-2-oxopiperidin-4-yl]pyrazol-4-yl]amino]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-[1-(2-phenylacetyl)piperidin-4-yl]-1,3-thiazol-5-yl]amino]benzo[cd]indol-2-one
CID 167598446
Tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;6-[[1-[1-(2-fluoro-4-isocyanophenyl)piperidin-3-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-[1-(2-phenylacetyl)piperidin-4-yl]-1,3-thiazol-5-yl]methyl]benzo[cd]indol-2-one
CID 167599975
Tert-butyl 4-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;4-[4-[[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrile;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 167604185

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The IUPAC name of tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (CID 167676753) is tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.
What is the SMILES notation for tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The canonical SMILES for tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(N(C)c5cnn(C6CCN(S(=O)(=O)C(C)(C)C)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6(C)CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Nc5ncc(C6CCN(C(=O)C7(C)CCC7)CC6)s5)ccc2c34)C(=O)N1.C=C1CC[C@H](N2C(=O)c3cccc4c(Nc5ccc(CN6CCN(c7ccc(C#N)cc7F)CC6)cc5)ccc2c34)C(=O)N1.
What is the InChIKey of tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The InChIKey is UXVVFXQYPHJPBA-OUMQCAPYSA-N. The full InChI is InChI=1S/C35H31FN6O2.C35H34N6O3.C34H32N6O3.C31H35N5O4.C31H33N5O3S.C30H36N6O4S/c1-22-5-12-32(34(43)38-22)42-31-14-11-29(26-3-2-4-27(33(26)31)35(42)44)39-25-9-6-23(7-10-25)21-40-15-17-41(18-16-40)30-13-8-24(20-37)19-28(30)36;1-16-6-8-22(31(42)37-16)41-21-9-7-20(18-4-3-5-19(23(18)21)32(41)43)38-17-14-36-40(15-17)34(2)10-12-39(13-11-34)33(44)35-28-25-24-26(28)30(35)27(24)29(25)35;1-15-5-7-22(31(41)36-15)40-21-8-6-20(18-3-2-4-19(23(18)21)32(40)42)37-16-13-35-39(14-16)17-9-11-38(12-10-17)33(43)34-28-25-24-26(28)30(34)27(24)29(25)34;1-19-8-10-26(28(37)33-19)36-25-11-9-21(23-6-5-7-24(27(23)25)29(36)38)16-20-17-32-35(18-20)22-12-14-34(15-13-22)30(39)40-31(2,3)4;1-18-7-9-24(27(37)33-18)36-23-10-8-22(20-5-3-6-21(26(20)23)28(36)38)34-30-32-17-25(40-30)19-11-15-35(16-12-19)29(39)31(2)13-4-14-31;1-19-9-10-26(28(37)32-19)36-25-12-11-24(22-7-6-8-23(27(22)25)29(36)38)33(5)21-17-31-35(18-21)20-13-15-34(16-14-20)41(39,40)30(2,3)4/h2-4,6-11,13-14,19,32,39H,1,5,12,15-18,21H2,(H,38,43);3-5,7,9,14-15,22,24-30,38H,1,6,8,10-13H2,2H3,(H,37,42);2-4,6,8,13-14,17,22,24-30,37H,1,5,7,9-12H2,(H,36,41);5-7,9,11,17-18,22,26H,1,8,10,12-16H2,2-4H3,(H,33,37);3,5-6,8,10,17,19,24H,1,4,7,9,11-16H2,2H3,(H,32,34)(H,33,37);6-8,11-12,17-18,20,26H,1,9-10,13-16H2,2-5H3,(H,32,37)/t32-;;;;;/m0...../s1.
What are the key properties of tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one has a molecular weight of 3420.11 g/mol, XLogP of 28.93, 30 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(1-tert-butylsulfonylpiperidin-4-yl)pyrazol-4-yl]-methylamino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;3-fluoro-4-[4-[[4-[[1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]amino]phenyl]methyl]piperazin-1-yl]benzonitrile;6-[[5-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]amino]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is sourced from PubChem (CID 167676753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).