2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one

C228H287F5N14O19 — CID 159983901

IUPAC2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one
SMILESCC1=CC(C)=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)(C)F)C(C)C3)c3ccccc23)C(=O)C1.CC1=CC(C)=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4cccc(C)c4)C3)c3ccccc23)C(=O)C1.CCC1CC(C(C)n2c(C)c(C(=O)CCC3=C(OC)C=C(C)CC3=O)c3ccccc32)CCN1CC(C)F.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)(F)F)C(C)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)F)C(C)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4cccc(C)c4)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4ccccc4C)C3)c3ccccc23)C(=O)CC(C)=C1
InChIInChI=1S/2C34H40N2O3.C34H40N2O2.C32H43FN2O3.C32H43FN2O2.C31H40F2N2O3.C31H41FN2O3/c1-21-9-8-10-26(17-21)29-20-25(15-16-35-29)23(3)36-24(4)34(27-11-6-7-12-30(27)36)31(37)14-13-28-32(38)18-22(2)19-33(28)39-5;1-21-18-32(38)28(33(19-21)39-5)14-15-31(37)34-24(4)36(30-13-9-8-12-27(30)34)23(3)25-16-17-35-29(20-25)26-11-7-6-10-22(26)2;1-21-9-8-10-27(18-21)30-20-26(15-16-35-30)24(4)36-25(5)34(29-11-6-7-12-31(29)36)32(37)14-13-28-23(3)17-22(2)19-33(28)38;1-7-25-18-24(14-15-34(25)19-21(3)33)22(4)35-23(5)32(26-10-8-9-11-28(26)35)29(36)13-12-27-30(37)16-20(2)17-31(27)38-6;1-20-16-21(2)26(30(37)17-20)12-13-29(36)31-24(5)35(28-11-9-8-10-27(28)31)23(4)25-14-15-34(22(3)18-25)19-32(6,7)33;1-19-15-28(37)25(29(16-19)38-6)11-12-27(36)30-22(4)35(26-10-8-7-9-24(26)30)21(3)23-13-14-34(20(2)17-23)18-31(5,32)33;1-19-15-29(36)26(30(16-19)37-6)11-12-28(35)31-23(5)34(27-10-8-7-9-25(27)31)22(4)24-13-14-33(18-20(2)32)21(3)17-24/h6-12,17,19,23,25,29,35H,13-16,18,20H2,1-5H3;6-13,19,23,25,29,35H,14-18,20H2,1-5H3;6-12,17-18,24,26,30,35H,13-16,19-20H2,1-5H3;8-11,17,21-22,24-25H,7,12-16,18-19H2,1-6H3;8-11,16,22-23,25H,12-15,17-19H2,1-7H3;7-10,16,20-21,23H,11-15,17-18H2,1-6H3;7-10,16,20-22,24H,11-15,17-18H2,1-6H3
InChIKeyOGBZDGSWZRXRPW-UHFFFAOYSA-N
MW3622.87 g/mol
LogP50.94
Rot. Bonds59

About 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one

2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one (PubChem CID 159983901) has the molecular formula C228H287F5N14O19 and a molecular weight of 3622.87 g/mol. Its IUPAC name is 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one
PubChem CID159983901
Molecular FormulaC228H287F5N14O19
Molecular Weight3622.87 g/mol
Exact Mass3620.18
IUPAC Name2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one
SMILESCC1=CC(C)=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)(C)F)C(C)C3)c3ccccc23)C(=O)C1.CC1=CC(C)=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4cccc(C)c4)C3)c3ccccc23)C(=O)C1.CCC1CC(C(C)n2c(C)c(C(=O)CCC3=C(OC)C=C(C)CC3=O)c3ccccc32)CCN1CC(C)F.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)(F)F)C(C)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)F)C(C)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4cccc(C)c4)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4ccccc4C)C3)c3ccccc23)C(=O)CC(C)=C1
InChIInChI=1S/2C34H40N2O3.C34H40N2O2.C32H43FN2O3.C32H43FN2O2.C31H40F2N2O3.C31H41FN2O3/c1-21-9-8-10-26(17-21)29-20-25(15-16-35-29)23(3)36-24(4)34(27-11-6-7-12-30(27)36)31(37)14-13-28-32(38)18-22(2)19-33(28)39-5;1-21-18-32(38)28(33(19-21)39-5)14-15-31(37)34-24(4)36(30-13-9-8-12-27(30)34)23(3)25-16-17-35-29(20-25)26-11-7-6-10-22(26)2;1-21-9-8-10-27(18-21)30-20-26(15-16-35-30)24(4)36-25(5)34(29-11-6-7-12-31(29)36)32(37)14-13-28-23(3)17-22(2)19-33(28)38;1-7-25-18-24(14-15-34(25)19-21(3)33)22(4)35-23(5)32(26-10-8-9-11-28(26)35)29(36)13-12-27-30(37)16-20(2)17-31(27)38-6;1-20-16-21(2)26(30(37)17-20)12-13-29(36)31-24(5)35(28-11-9-8-10-27(28)31)23(4)25-14-15-34(22(3)18-25)19-32(6,7)33;1-19-15-28(37)25(29(16-19)38-6)11-12-27(36)30-22(4)35(26-10-8-7-9-24(26)30)21(3)23-13-14-34(20(2)17-23)18-31(5,32)33;1-19-15-29(36)26(30(16-19)37-6)11-12-28(35)31-23(5)34(27-10-8-7-9-25(27)31)22(4)24-13-14-33(18-20(2)32)21(3)17-24/h6-12,17,19,23,25,29,35H,13-16,18,20H2,1-5H3;6-13,19,23,25,29,35H,14-18,20H2,1-5H3;6-12,17-18,24,26,30,35H,13-16,19-20H2,1-5H3;8-11,17,21-22,24-25H,7,12-16,18-19H2,1-6H3;8-11,16,22-23,25H,12-15,17-19H2,1-7H3;7-10,16,20-21,23H,11-15,17-18H2,1-6H3;7-10,16,20-22,24H,11-15,17-18H2,1-6H3
InChIKeyOGBZDGSWZRXRPW-UHFFFAOYSA-N
XLogP50.94
TPSA368.69 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds59
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003622.87
LogP ≤ 550.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one (CID 159983901) is 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one is CC1=CC(C)=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)(C)F)C(C)C3)c3ccccc23)C(=O)C1.CC1=CC(C)=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4cccc(C)c4)C3)c3ccccc23)C(=O)C1.CCC1CC(C(C)n2c(C)c(C(=O)CCC3=C(OC)C=C(C)CC3=O)c3ccccc32)CCN1CC(C)F.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)(F)F)C(C)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)F)C(C)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4cccc(C)c4)C3)c3ccccc23)C(=O)CC(C)=C1.COC1=C(CCC(=O)c2c(C)n(C(C)C3CCNC(c4ccccc4C)C3)c3ccccc23)C(=O)CC(C)=C1.
What is the InChIKey of 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one?
The InChIKey is OGBZDGSWZRXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H40N2O3.C34H40N2O2.C32H43FN2O3.C32H43FN2O2.C31H40F2N2O3.C31H41FN2O3/c1-21-9-8-10-26(17-21)29-20-25(15-16-35-29)23(3)36-24(4)34(27-11-6-7-12-30(27)36)31(37)14-13-28-32(38)18-22(2)19-33(28)39-5;1-21-18-32(38)28(33(19-21)39-5)14-15-31(37)34-24(4)36(30-13-9-8-12-27(30)34)23(3)25-16-17-35-29(20-25)26-11-7-6-10-22(26)2;1-21-9-8-10-27(18-21)30-20-26(15-16-35-30)24(4)36-25(5)34(29-11-6-7-12-31(29)36)32(37)14-13-28-23(3)17-22(2)19-33(28)38;1-7-25-18-24(14-15-34(25)19-21(3)33)22(4)35-23(5)32(26-10-8-9-11-28(26)35)29(36)13-12-27-30(37)16-20(2)17-31(27)38-6;1-20-16-21(2)26(30(37)17-20)12-13-29(36)31-24(5)35(28-11-9-8-10-27(28)31)23(4)25-14-15-34(22(3)18-25)19-32(6,7)33;1-19-15-28(37)25(29(16-19)38-6)11-12-27(36)30-22(4)35(26-10-8-7-9-24(26)30)21(3)23-13-14-34(20(2)17-23)18-31(5,32)33;1-19-15-29(36)26(30(16-19)37-6)11-12-28(35)31-23(5)34(27-10-8-7-9-25(27)31)22(4)24-13-14-33(18-20(2)32)21(3)17-24/h6-12,17,19,23,25,29,35H,13-16,18,20H2,1-5H3;6-13,19,23,25,29,35H,14-18,20H2,1-5H3;6-12,17-18,24,26,30,35H,13-16,19-20H2,1-5H3;8-11,17,21-22,24-25H,7,12-16,18-19H2,1-6H3;8-11,16,22-23,25H,12-15,17-19H2,1-7H3;7-10,16,20-21,23H,11-15,17-18H2,1-6H3;7-10,16,20-22,24H,11-15,17-18H2,1-6H3.
What are the key properties of 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one?
2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one has a molecular weight of 3622.87 g/mol, XLogP of 50.94, 59 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;2-[3-[1-[1-[2-ethyl-1-(2-fluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(2-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3-methoxy-5-methyl-2-[3-[2-methyl-1-[1-[2-(3-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 159983901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).