6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one

C186H197ClF2N26O17 — CID 167694344

IUPAC6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one
SMILESC=C1CCC(N2C(=O)c3cccc4c(C(F)(F)c5cnn(C6CCN(C(=O)C7(C)CC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6=O)cc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)C7(C)CCC7)CC6)nc5Cl)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CC[C@H](N2C(=O)c3cccc4c(Cc5cnn(C6CCN(CC7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1
InChIInChI=1S/C33H39N5O2.C32H34ClN5O3.C32H37N5O2.C31H31F2N5O3.C29H27N3O4.C29H29N3O3/c1-22-8-10-28(30(39)35-22)38-27-11-9-24(25-6-4-7-26(29(25)27)31(38)40)18-23-19-34-37(20-23)33(3)14-16-36(17-15-33)21-32(2)12-5-13-32;1-19-7-9-26(29(39)34-19)38-25-10-8-20(23-5-3-6-24(27(23)25)30(38)40)17-21-18-37(35-28(21)33)22-11-15-36(16-12-22)31(41)32(2)13-4-14-32;1-21-7-9-28(30(38)34-21)37-27-10-8-23(25-5-3-6-26(29(25)27)31(37)39)17-22-18-33-36(19-22)24-11-15-35(16-12-24)20-32(2)13-4-14-32;1-18-6-8-25(27(39)35-18)38-24-9-7-23(21-4-3-5-22(26(21)24)28(38)40)31(32,33)19-16-34-37(17-19)20-10-14-36(15-11-20)29(41)30(2)12-13-30;1-18-5-11-25(28(34)30-18)32-24-12-10-21(22-3-2-4-23(27(22)24)29(32)35)15-19-6-8-20(9-7-19)16-31-13-14-36-17-26(31)33;1-19-5-11-26(28(33)30-19)32-25-12-10-22(23-3-2-4-24(27(23)25)29(32)34)17-20-6-8-21(9-7-20)18-31-13-15-35-16-14-31/h4,6-7,9,11,19-20,28H,1,5,8,10,12-18,21H2,2-3H3,(H,35,39);3,5-6,8,10,18,22,26H,1,4,7,9,11-17H2,2H3,(H,34,39);3,5-6,8,10,18-19,24,28H,1,4,7,9,11-17,20H2,2H3,(H,34,38);3-5,7,9,16-17,20,25H,1,6,8,10-15H2,2H3,(H,35,39);2-4,6-10,12,25H,1,5,11,13-17H2,(H,30,34);2-4,6-10,12,26H,1,5,11,13-18H2,(H,30,33)/t;;28-;;;/m..0.../s1
InChIKeyXKQQLFYSUIDSLA-NISCQAPPSA-N
MW3142.24 g/mol
LogP28.42
Rot. Bonds32

About 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one

6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one (PubChem CID 167694344) has the molecular formula C186H197ClF2N26O17 and a molecular weight of 3142.24 g/mol. Its IUPAC name is 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one
PubChem CID167694344
Molecular FormulaC186H197ClF2N26O17
Molecular Weight3142.24 g/mol
Exact Mass3139.50
IUPAC Name6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one
SMILESC=C1CCC(N2C(=O)c3cccc4c(C(F)(F)c5cnn(C6CCN(C(=O)C7(C)CC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6=O)cc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)C7(C)CCC7)CC6)nc5Cl)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CC[C@H](N2C(=O)c3cccc4c(Cc5cnn(C6CCN(CC7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1
InChIInChI=1S/C33H39N5O2.C32H34ClN5O3.C32H37N5O2.C31H31F2N5O3.C29H27N3O4.C29H29N3O3/c1-22-8-10-28(30(39)35-22)38-27-11-9-24(25-6-4-7-26(29(25)27)31(38)40)18-23-19-34-37(20-23)33(3)14-16-36(17-15-33)21-32(2)12-5-13-32;1-19-7-9-26(29(39)34-19)38-25-10-8-20(23-5-3-6-24(27(23)25)30(38)40)17-21-18-37(35-28(21)33)22-11-15-36(16-12-22)31(41)32(2)13-4-14-32;1-21-7-9-28(30(38)34-21)37-27-10-8-23(25-5-3-6-26(29(25)27)31(37)39)17-22-18-33-36(19-22)24-11-15-35(16-12-24)20-32(2)13-4-14-32;1-18-6-8-25(27(39)35-18)38-24-9-7-23(21-4-3-5-22(26(21)24)28(38)40)31(32,33)19-16-34-37(17-19)20-10-14-36(15-11-20)29(41)30(2)12-13-30;1-18-5-11-25(28(34)30-18)32-24-12-10-21(22-3-2-4-23(27(22)24)29(32)35)15-19-6-8-20(9-7-19)16-31-13-14-36-17-26(31)33;1-19-5-11-26(28(33)30-19)32-25-12-10-22(23-3-2-4-24(27(23)25)29(32)34)17-20-6-8-21(9-7-20)18-31-13-15-35-16-14-31/h4,6-7,9,11,19-20,28H,1,5,8,10,12-18,21H2,2-3H3,(H,35,39);3,5-6,8,10,18,22,26H,1,4,7,9,11-17H2,2H3,(H,34,39);3,5-6,8,10,18-19,24,28H,1,4,7,9,11-17,20H2,2H3,(H,34,38);3-5,7,9,16-17,20,25H,1,6,8,10-15H2,2H3,(H,35,39);2-4,6-10,12,25H,1,5,11,13-17H2,(H,30,34);2-4,6-10,12,26H,1,5,11,13-18H2,(H,30,33)/t;;28-;;;/m..0.../s1
InChIKeyXKQQLFYSUIDSLA-NISCQAPPSA-N
XLogP28.42
TPSA456.85 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003142.24
LogP ≤ 528.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one?
The IUPAC name of 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one (CID 167694344) is 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one?
The canonical SMILES for 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one is C=C1CCC(N2C(=O)c3cccc4c(C(F)(F)c5cnn(C6CCN(C(=O)C7(C)CC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6=O)cc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)C7(C)CCC7)CC6)nc5Cl)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CC[C@H](N2C(=O)c3cccc4c(Cc5cnn(C6CCN(CC7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1.
What is the InChIKey of 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one?
The InChIKey is XKQQLFYSUIDSLA-NISCQAPPSA-N. The full InChI is InChI=1S/C33H39N5O2.C32H34ClN5O3.C32H37N5O2.C31H31F2N5O3.C29H27N3O4.C29H29N3O3/c1-22-8-10-28(30(39)35-22)38-27-11-9-24(25-6-4-7-26(29(25)27)31(38)40)18-23-19-34-37(20-23)33(3)14-16-36(17-15-33)21-32(2)12-5-13-32;1-19-7-9-26(29(39)34-19)38-25-10-8-20(23-5-3-6-24(27(23)25)30(38)40)17-21-18-37(35-28(21)33)22-11-15-36(16-12-22)31(41)32(2)13-4-14-32;1-21-7-9-28(30(38)34-21)37-27-10-8-23(25-5-3-6-26(29(25)27)31(37)39)17-22-18-33-36(19-22)24-11-15-35(16-12-24)20-32(2)13-4-14-32;1-18-6-8-25(27(39)35-18)38-24-9-7-23(21-4-3-5-22(26(21)24)28(38)40)31(32,33)19-16-34-37(17-19)20-10-14-36(15-11-20)29(41)30(2)12-13-30;1-18-5-11-25(28(34)30-18)32-24-12-10-21(22-3-2-4-23(27(22)24)29(32)35)15-19-6-8-20(9-7-19)16-31-13-14-36-17-26(31)33;1-19-5-11-26(28(33)30-19)32-25-12-10-22(23-3-2-4-24(27(23)25)29(32)34)17-20-6-8-21(9-7-20)18-31-13-15-35-16-14-31/h4,6-7,9,11,19-20,28H,1,5,8,10,12-18,21H2,2-3H3,(H,35,39);3,5-6,8,10,18,22,26H,1,4,7,9,11-17H2,2H3,(H,34,39);3,5-6,8,10,18-19,24,28H,1,4,7,9,11-17,20H2,2H3,(H,34,38);3-5,7,9,16-17,20,25H,1,6,8,10-15H2,2H3,(H,35,39);2-4,6-10,12,25H,1,5,11,13-17H2,(H,30,34);2-4,6-10,12,26H,1,5,11,13-18H2,(H,30,33)/t;;28-;;;/m..0.../s1.
What are the key properties of 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one?
6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one has a molecular weight of 3142.24 g/mol, XLogP of 28.42, 32 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[difluoro-[1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzo[cd]indol-2-one;4-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 167694344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).