4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one

C34H34N2O3 — CID 157425778

IUPAC4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one
SMILESCC(=O)CC1COc2cc(C[C@@H]3CCc4c(-c5c(C)cc(-c6ccn(C)c(=O)c6)cc5C)cccc43)cnc21
InChIInChI=1S/C34H34N2O3/c1-20-12-26(24-10-11-36(4)32(38)17-24)13-21(2)33(20)30-7-5-6-28-25(8-9-29(28)30)15-23-16-31-34(35-18-23)27(19-39-31)14-22(3)37/h5-7,10-13,16-18,25,27H,8-9,14-15,19H2,1-4H3/t25-,27?/m0/s1
InChIKeySGHZMZPELGIOBF-PVCWFJFTSA-N
MW518.66 g/mol
LogP6.46
Rot. Bonds6

About 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one

4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one (PubChem CID 157425778) has the molecular formula C34H34N2O3 and a molecular weight of 518.66 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one
PubChem CID157425778
Molecular FormulaC34H34N2O3
Molecular Weight518.66 g/mol
Exact Mass518.26
IUPAC Name4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one
SMILESCC(=O)CC1COc2cc(C[C@@H]3CCc4c(-c5c(C)cc(-c6ccn(C)c(=O)c6)cc5C)cccc43)cnc21
InChIInChI=1S/C34H34N2O3/c1-20-12-26(24-10-11-36(4)32(38)17-24)13-21(2)33(20)30-7-5-6-28-25(8-9-29(28)30)15-23-16-31-34(35-18-23)27(19-39-31)14-22(3)37/h5-7,10-13,16-18,25,27H,8-9,14-15,19H2,1-4H3/t25-,27?/m0/s1
InChIKeySGHZMZPELGIOBF-PVCWFJFTSA-N
XLogP6.46
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(NE)-N-[5-[5-[1-(2-methoxyethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135453444
(3aR,3bS,5aS,8aS,8bS)-6-(5-ethoxy-3-pyridinyl)-1,3a,5a-trimethyl-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one
CID 134132595
2-(2-(6-(2-Fluorophenyl)pyridin-3-yloxy)ethyl)isoindole-1,3-dione
CID 59761352
7-ethyl-5-(pyridin-2-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 68265205
2-[(3S)-6-[[(1S)-4-[2,6-dimethyl-4-(1-methyl-2-oxopyrimidin-4-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-c]pyridin-3-yl]acetic acid
CID 152790909
2-[(3S)-6-[[(1S)-7-fluoro-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
CID 157385703
2-[6-[[(1S)-7-fluoro-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
CID 157385704
2-[6-[[(1S)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
CID 160620821
2-[(3S)-6-[[(1S)-4-[2,6-dimethyl-4-(1-methyl-2-oxo-4-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-c]pyridin-3-yl]acetic acid
CID 160999818
2-[(3S)-6-[[(1S)-4-[2,6-dimethyl-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-c]pyridin-3-yl]acetic acid
CID 161106099
2-[6-[[(1S)-4-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetic acid
CID 161462973
(4S)-1-(3H-inden-5-yl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 161837196

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one (CID 157425778) is 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one is CC(=O)CC1COc2cc(C[C@@H]3CCc4c(-c5c(C)cc(-c6ccn(C)c(=O)c6)cc5C)cccc43)cnc21.
What is the InChIKey of 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one?
The InChIKey is SGHZMZPELGIOBF-PVCWFJFTSA-N. The full InChI is InChI=1S/C34H34N2O3/c1-20-12-26(24-10-11-36(4)32(38)17-24)13-21(2)33(20)30-7-5-6-28-25(8-9-29(28)30)15-23-16-31-34(35-18-23)27(19-39-31)14-22(3)37/h5-7,10-13,16-18,25,27H,8-9,14-15,19H2,1-4H3/t25-,27?/m0/s1.
What are the key properties of 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one?
4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one has a molecular weight of 518.66 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-4-[(1S)-1-[[3-(2-oxopropyl)-2,3-dihydrofuro[3,2-b]pyridin-6-yl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 157425778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).