6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

C127H139N21O12 — CID 167646003

IUPAC6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
SMILESC=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5cc(C6CCN(C(=O)C7(C)CCC7)CC6)cn5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5cc(C6CCN(C(=O)C7(C)CCC7)CC6)nn5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)C7(C)CCC7)CC6)n5)ccc2c34)C(=O)N1
InChIInChI=1S/3C32H35N5O3.C31H34N6O3/c1-20-7-9-27(29(38)33-20)37-26-10-8-22(23-5-3-6-24(28(23)26)30(37)39)19-36-18-13-25(34-36)21-11-16-35(17-12-21)31(40)32(2)14-4-15-32;1-20-7-9-27(29(38)34-20)37-26-10-8-22(24-5-3-6-25(28(24)26)30(37)39)17-21-18-33-36(19-21)23-11-15-35(16-12-23)31(40)32(2)13-4-14-32;1-20-7-9-27(29(38)34-20)37-26-10-8-22(24-5-3-6-25(28(24)26)30(37)39)18-36-19-23(17-33-36)21-11-15-35(16-12-21)31(40)32(2)13-4-14-32;1-19-7-9-26(28(38)32-19)37-25-10-8-21(22-5-3-6-23(27(22)25)29(37)39)17-36-18-24(33-34-36)20-11-15-35(16-12-20)30(40)31(2)13-4-14-31/h3,5-6,8,10,13,18,21,27H,1,4,7,9,11-12,14-17,19H2,2H3,(H,33,38);3,5-6,8,10,18-19,23,27H,1,4,7,9,11-17H2,2H3,(H,34,38);3,5-6,8,10,17,19,21,27H,1,4,7,9,11-16,18H2,2H3,(H,34,38);3,5-6,8,10,18,20,26H,1,4,7,9,11-17H2,2H3,(H,32,38)
InChIKeyPWNMFRWTOPFFKY-UHFFFAOYSA-N
MW2151.64 g/mol
LogP18.33
Rot. Bonds20

About 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-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;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (PubChem CID 167646003) has the molecular formula C127H139N21O12 and a molecular weight of 2151.64 g/mol. Its IUPAC name is 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
PubChem CID167646003
Molecular FormulaC127H139N21O12
Molecular Weight2151.64 g/mol
Exact Mass2150.09
IUPAC Name6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
SMILESC=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5cc(C6CCN(C(=O)C7(C)CCC7)CC6)cn5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5cc(C6CCN(C(=O)C7(C)CCC7)CC6)nn5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)C7(C)CCC7)CC6)n5)ccc2c34)C(=O)N1
InChIInChI=1S/3C32H35N5O3.C31H34N6O3/c1-20-7-9-27(29(38)33-20)37-26-10-8-22(23-5-3-6-24(28(23)26)30(37)39)19-36-18-13-25(34-36)21-11-16-35(17-12-21)31(40)32(2)14-4-15-32;1-20-7-9-27(29(38)34-20)37-26-10-8-22(24-5-3-6-25(28(24)26)30(37)39)17-21-18-33-36(19-21)23-11-15-35(16-12-23)31(40)32(2)13-4-14-32;1-20-7-9-27(29(38)34-20)37-26-10-8-22(24-5-3-6-25(28(24)26)30(37)39)18-36-19-23(17-33-36)21-11-15-35(16-12-21)31(40)32(2)13-4-14-32;1-19-7-9-26(28(38)32-19)37-25-10-8-21(22-5-3-6-23(27(22)25)29(37)39)17-36-18-24(33-34-36)20-11-15-35(16-12-20)30(40)31(2)13-4-14-31/h3,5-6,8,10,13,18,21,27H,1,4,7,9,11-12,14-17,19H2,2H3,(H,33,38);3,5-6,8,10,18-19,23,27H,1,4,7,9,11-17H2,2H3,(H,34,38);3,5-6,8,10,17,19,21,27H,1,4,7,9,11-16,18H2,2H3,(H,34,38);3,5-6,8,10,18,20,26H,1,4,7,9,11-17H2,2H3,(H,32,38)
InChIKeyPWNMFRWTOPFFKY-UHFFFAOYSA-N
XLogP18.33
TPSA363.05 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002151.64
LogP ≤ 518.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The IUPAC name of 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (CID 167646003) is 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.
What is the SMILES notation for 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The canonical SMILES for 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C7(C)CCC7)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5cc(C6CCN(C(=O)C7(C)CCC7)CC6)cn5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5cc(C6CCN(C(=O)C7(C)CCC7)CC6)nn5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)C7(C)CCC7)CC6)n5)ccc2c34)C(=O)N1.
What is the InChIKey of 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The InChIKey is PWNMFRWTOPFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H35N5O3.C31H34N6O3/c1-20-7-9-27(29(38)33-20)37-26-10-8-22(23-5-3-6-24(28(23)26)30(37)39)19-36-18-13-25(34-36)21-11-16-35(17-12-21)31(40)32(2)14-4-15-32;1-20-7-9-27(29(38)34-20)37-26-10-8-22(24-5-3-6-25(28(24)26)30(37)39)17-21-18-33-36(19-21)23-11-15-35(16-12-23)31(40)32(2)13-4-14-32;1-20-7-9-27(29(38)34-20)37-26-10-8-22(24-5-3-6-25(28(24)26)30(37)39)18-36-19-23(17-33-36)21-11-15-35(16-12-21)31(40)32(2)13-4-14-32;1-19-7-9-26(28(38)32-19)37-25-10-8-21(22-5-3-6-23(27(22)25)29(37)39)17-36-18-24(33-34-36)20-11-15-35(16-12-20)30(40)31(2)13-4-14-31/h3,5-6,8,10,13,18,21,27H,1,4,7,9,11-12,14-17,19H2,2H3,(H,33,38);3,5-6,8,10,18-19,23,27H,1,4,7,9,11-17H2,2H3,(H,34,38);3,5-6,8,10,17,19,21,27H,1,4,7,9,11-16,18H2,2H3,(H,34,38);3,5-6,8,10,18,20,26H,1,4,7,9,11-17H2,2H3,(H,32,38).
What are the key properties of 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-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;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one has a molecular weight of 2151.64 g/mol, XLogP of 18.33, 20 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is sourced from PubChem (CID 167646003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).