ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

C25H25NO6 — CID 7909677

IUPACethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H25NO6/c1-6-32-25(28)19-13(2)26-22-15-9-7-8-10-16(15)23(27)21(22)20(19)14-11-17(29-3)24(31-5)18(12-14)30-4/h7-12,19-20H,6H2,1-5H3/t19?,20-/m1/s1
InChIKeyYGPLPVMBYKOMPZ-GFOWMXPYSA-N
MW435.48 g/mol
LogP4.06
Rot. Bonds6

About ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 7909677) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
PubChem CID7909677
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Nameethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H25NO6/c1-6-32-25(28)19-13(2)26-22-15-9-7-8-10-16(15)23(27)21(22)20(19)14-11-17(29-3)24(31-5)18(12-14)30-4/h7-12,19-20H,6H2,1-5H3/t19?,20-/m1/s1
InChIKeyYGPLPVMBYKOMPZ-GFOWMXPYSA-N
XLogP4.06
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
(4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 6984197
methyl (4R)-4-(3-chloro-4-methoxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7210911
methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6965466
ethyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967669
propyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089417
2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate
CID 78462312
pentyl (4S)-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7089137
ethyl (4R,7S)-4-(2,3-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909800
ethyl (4S,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909729
ethyl (4S,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909695
2-[4-bromo-2-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetic acid
CID 74712237

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (CID 7909677) is ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is YGPLPVMBYKOMPZ-GFOWMXPYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-6-32-25(28)19-13(2)26-22-15-9-7-8-10-16(15)23(27)21(22)20(19)14-11-17(29-3)24(31-5)18(12-14)30-4/h7-12,19-20H,6H2,1-5H3/t19?,20-/m1/s1.
What are the key properties of ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 7909677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).