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

C30H38F3N3O3 — CID 147802547

IUPAC4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)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(CCCC(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C30H38F3N3O3/c1-19-18-27(39-4)24(29(38)34-19)10-11-26(37)28-21(3)36(25-9-6-5-8-23(25)28)20(2)22-12-16-35(17-13-22)15-7-14-30(31,32)33/h5-6,8-9,18,20,22H,7,10-17H2,1-4H3,(H,34,38)/t20-/m1/s1
InChIKeyHLUJAHHGNHNMGO-HXUWFJFHSA-N
MW545.65 g/mol
LogP6.39
Rot. Bonds10

About 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 147802547) has the molecular formula C30H38F3N3O3 and a molecular weight of 545.65 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
PubChem CID147802547
Molecular FormulaC30H38F3N3O3
Molecular Weight545.65 g/mol
Exact Mass545.29
IUPAC Name4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)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(CCCC(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C30H38F3N3O3/c1-19-18-27(39-4)24(29(38)34-19)10-11-26(37)28-21(3)36(25-9-6-5-8-23(25)28)20(2)22-12-16-35(17-13-22)15-7-14-30(31,32)33/h5-6,8-9,18,20,22H,7,10-17H2,1-4H3,(H,34,38)/t20-/m1/s1
InChIKeyHLUJAHHGNHNMGO-HXUWFJFHSA-N
XLogP6.39
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.65
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)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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(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
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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-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
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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
N-[(4-cyclobutylsulfanyl-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 142589952

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 147802547) is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)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(CCCC(F)(F)F)CC2)c2ccccc12.
What is the InChIKey of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The InChIKey is HLUJAHHGNHNMGO-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H38F3N3O3/c1-19-18-27(39-4)24(29(38)34-19)10-11-26(37)28-21(3)36(25-9-6-5-8-23(25)28)20(2)22-12-16-35(17-13-22)15-7-14-30(31,32)33/h5-6,8-9,18,20,22H,7,10-17H2,1-4H3,(H,34,38)/t20-/m1/s1.
What are the key properties of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 545.65 g/mol, XLogP of 6.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 147802547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).