3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C31H40N2O3 — CID 157252166

IUPAC3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCCC3CCCCC32)c2ccccc12
InChIInChI=1S/C31H40N2O3/c1-19-18-29(36-4)26(31(35)32-19)16-17-28(34)30-21(3)33(27-15-8-7-13-25(27)30)20(2)23-14-9-11-22-10-5-6-12-24(22)23/h7-8,13,15,18,20,22-24H,5-6,9-12,14,16-17H2,1-4H3,(H,32,35)
InChIKeyDSCFPWOEHQAQJU-UHFFFAOYSA-N
MW488.67 g/mol
LogP6.94
Rot. Bonds7

About 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 157252166) has the molecular formula C31H40N2O3 and a molecular weight of 488.67 g/mol. Its IUPAC name is 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
PubChem CID157252166
Molecular FormulaC31H40N2O3
Molecular Weight488.67 g/mol
Exact Mass488.30
IUPAC Name3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCCC3CCCCC32)c2ccccc12
InChIInChI=1S/C31H40N2O3/c1-19-18-29(36-4)26(31(35)32-19)16-17-28(34)30-21(3)33(27-15-8-7-13-25(27)30)20(2)23-14-9-11-22-10-5-6-12-24(22)23/h7-8,13,15,18,20,22-24H,5-6,9-12,14,16-17H2,1-4H3,(H,32,35)
InChIKeyDSCFPWOEHQAQJU-UHFFFAOYSA-N
XLogP6.94
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;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
CID 161395557
4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159277315
3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 148686072
4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159063050
1-(1-cyclohexylethyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144683606
1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791467
1-[1-(1-cyclopropylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 123861247
4,6-dimethyl-3-[3-[2-methyl-1-[(1R)-1-[1-(1-methylazetidin-3-yl)sulfonylpiperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 153158091
1-[(1R)-1-[1-[ethyl(dimethyl)-λ4-sulfanyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 159108518
1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 118364351
1-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 123426448
1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 122458358

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 157252166) is 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCCC3CCCCC32)c2ccccc12.
What is the InChIKey of 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The InChIKey is DSCFPWOEHQAQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O3/c1-19-18-29(36-4)26(31(35)32-19)16-17-28(34)30-21(3)33(27-15-8-7-13-25(27)30)20(2)23-14-9-11-22-10-5-6-12-24(22)23/h7-8,13,15,18,20,22-24H,5-6,9-12,14,16-17H2,1-4H3,(H,32,35).
What are the key properties of 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one has a molecular weight of 488.67 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 157252166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).