3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

C109H139F3N12O11 — CID 161138479

IUPAC3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCCN1CCC(C(C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCCCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)[C@@H]2CCN(C)C(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C28H34F3N3O3.C27H36N4O2.C27H35N3O3.C27H34N2O3/c1-16-14-24(37-5)21(27(36)32-16)10-11-23(35)26-18(3)34(22-9-7-6-8-20(22)26)17(2)19-12-13-33(4)25(15-19)28(29,30)31;1-6-30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32;1-17-16-25(33-5)22(27(32)28-17)10-11-24(31)26-19(3)30(23-9-7-6-8-21(23)26)18(2)20-12-14-29(4)15-13-20;1-17-16-25(32-4)22(27(31)28-17)14-15-24(30)26-19(3)29(23-13-9-8-12-21(23)26)18(2)20-10-6-5-7-11-20/h6-9,14,17,19,25H,10-13,15H2,1-5H3,(H,32,36);7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32);6-9,16,18,20H,10-15H2,1-5H3,(H,28,32);8-9,12-13,16,18,20H,5-7,10-11,14-15H2,1-4H3,(H,28,31)/t17-,19-,25?;;2*18-/m1.11/s1
InChIKeyUNCQTGICZDUDGR-IBVBPRMGSA-N
MW1850.38 g/mol
LogP20.67
Rot. Bonds27

About 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 161138479) has the molecular formula C109H139F3N12O11 and a molecular weight of 1850.38 g/mol. Its IUPAC name is 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
PubChem CID161138479
Molecular FormulaC109H139F3N12O11
Molecular Weight1850.38 g/mol
Exact Mass1849.06
IUPAC Name3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCCN1CCC(C(C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCCCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)[C@@H]2CCN(C)C(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C28H34F3N3O3.C27H36N4O2.C27H35N3O3.C27H34N2O3/c1-16-14-24(37-5)21(27(36)32-16)10-11-23(35)26-18(3)34(22-9-7-6-8-20(22)26)17(2)19-12-13-33(4)25(15-19)28(29,30)31;1-6-30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32;1-17-16-25(33-5)22(27(32)28-17)10-11-24(31)26-19(3)30(23-9-7-6-8-21(23)26)18(2)20-12-14-29(4)15-13-20;1-17-16-25(32-4)22(27(31)28-17)14-15-24(30)26-19(3)29(23-13-9-8-12-21(23)26)18(2)20-10-6-5-7-11-20/h6-9,14,17,19,25H,10-13,15H2,1-5H3,(H,32,36);7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32);6-9,16,18,20H,10-15H2,1-5H3,(H,28,32);8-9,12-13,16,18,20H,5-7,10-11,14-15H2,1-4H3,(H,28,31)/t17-,19-,25?;;2*18-/m1.11/s1
InChIKeyUNCQTGICZDUDGR-IBVBPRMGSA-N
XLogP20.67
TPSA268.88 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001850.38
LogP ≤ 520.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one with MolForge

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Related Compounds

Lirametostat
CID 78320408
(R)-1-(1-(1-(2,2-difluoropropyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide
CID 117894970
1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 78320409
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 122458404
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 162643900
1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 78320107
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 78320108
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 117807859
N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide
CID 117807959
N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[1-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 117808064
(R)-1-(1-(1-(3,5-difluorobenzyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide
CID 117889655
1-[1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 117889657

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 161138479) is 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is CCN1CCC(C(C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCCCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)[C@@H]2CCN(C)C(C(F)(F)F)C2)c2ccccc12.
What is the InChIKey of 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The InChIKey is UNCQTGICZDUDGR-IBVBPRMGSA-N. The full InChI is InChI=1S/C28H34F3N3O3.C27H36N4O2.C27H35N3O3.C27H34N2O3/c1-16-14-24(37-5)21(27(36)32-16)10-11-23(35)26-18(3)34(22-9-7-6-8-20(22)26)17(2)19-12-13-33(4)25(15-19)28(29,30)31;1-6-30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32;1-17-16-25(33-5)22(27(32)28-17)10-11-24(31)26-19(3)30(23-9-7-6-8-21(23)26)18(2)20-12-14-29(4)15-13-20;1-17-16-25(32-4)22(27(31)28-17)14-15-24(30)26-19(3)29(23-13-9-8-12-21(23)26)18(2)20-10-6-5-7-11-20/h6-9,14,17,19,25H,10-13,15H2,1-5H3,(H,32,36);7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32);6-9,16,18,20H,10-15H2,1-5H3,(H,28,32);8-9,12-13,16,18,20H,5-7,10-11,14-15H2,1-4H3,(H,28,31)/t17-,19-,25?;;2*18-/m1.11/s1.
What are the key properties of 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 1850.38 g/mol, XLogP of 20.67, 27 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 161138479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).