4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

C29H34F3N3O4 — CID 147107441

IUPAC4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CC(=O)C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C29H34F3N3O4/c1-17-15-25(39-4)22(28(38)33-17)9-10-24(36)27-19(3)35(23-8-6-5-7-21(23)27)18(2)20-11-13-34(14-12-20)16-26(37)29(30,31)32/h5-8,15,18,20H,9-14,16H2,1-4H3,(H,33,38)/t18-/m1/s1
InChIKeyBLVMLYULURMVGT-GOSISDBHSA-N
MW545.60 g/mol
LogP5.17
Rot. Bonds9

About 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 147107441) has the molecular formula C29H34F3N3O4 and a molecular weight of 545.60 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
PubChem CID147107441
Molecular FormulaC29H34F3N3O4
Molecular Weight545.60 g/mol
Exact Mass545.25
IUPAC Name4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CC(=O)C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C29H34F3N3O4/c1-17-15-25(39-4)22(28(38)33-17)9-10-24(36)27-19(3)35(23-8-6-5-7-21(23)27)18(2)20-11-13-34(14-12-20)16-26(37)29(30,31)32/h5-8,15,18,20H,9-14,16H2,1-4H3,(H,33,38)/t18-/m1/s1
InChIKeyBLVMLYULURMVGT-GOSISDBHSA-N
XLogP5.17
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.60
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one with MolForge

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Related Compounds

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Cpi-169
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N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 73442743
(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
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 117807842
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide
CID 122491341
N-[(4-ethylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589853
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589857
2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589865
2-(5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 147107441) is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CC(=O)C(F)(F)F)CC2)c2ccccc12.
What is the InChIKey of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The InChIKey is BLVMLYULURMVGT-GOSISDBHSA-N. The full InChI is InChI=1S/C29H34F3N3O4/c1-17-15-25(39-4)22(28(38)33-17)9-10-24(36)27-19(3)35(23-8-6-5-7-21(23)27)18(2)20-11-13-34(14-12-20)16-26(37)29(30,31)32/h5-8,15,18,20H,9-14,16H2,1-4H3,(H,33,38)/t18-/m1/s1.
What are the key properties of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 545.60 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoro-2-oxopropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 147107441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).