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

C22H19NO3 — CID 6925639

IUPACethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1
InChIInChI=1S/C22H19NO3/c1-3-26-22(25)17-13(2)23-20-15-11-7-8-12-16(15)21(24)19(20)18(17)14-9-5-4-6-10-14/h4-12,17-18H,3H2,1-2H3/t17?,18-/m1/s1
InChIKeyFQWFUYDIJUBDOC-QRWMCTBCSA-N
MW345.40 g/mol
LogP4.03
Rot. Bonds3

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

ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 6925639) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
PubChem CID6925639
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Nameethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1
InChIInChI=1S/C22H19NO3/c1-3-26-22(25)17-13(2)23-20-15-11-7-8-12-16(15)21(24)19(20)18(17)14-9-5-4-6-10-14/h4-12,17-18H,3H2,1-2H3/t17?,18-/m1/s1
InChIKeyFQWFUYDIJUBDOC-QRWMCTBCSA-N
XLogP4.03
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7909677
methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6965466
methyl (4R)-4-(3-chloro-4-methoxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7210911
ethyl 3-methyl-2-oxo-4,5-diphenylcyclopent-3-ene-1-carboxylate
CID 73311477
(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7700112
ethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6966655
2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate
CID 78462312
(4S)-3-acetyl-2-methyl-4-(3-nitrophenyl)-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7241233
2-[4-bromo-2-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetic acid
CID 74712237
ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 78444406
[2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide
CID 7308437
ethyl (4R)-2,7,7-trimethyl-5-oxo-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6960393

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (CID 6925639) is ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is FQWFUYDIJUBDOC-QRWMCTBCSA-N. The full InChI is InChI=1S/C22H19NO3/c1-3-26-22(25)17-13(2)23-20-15-11-7-8-12-16(15)21(24)19(20)18(17)14-9-5-4-6-10-14/h4-12,17-18H,3H2,1-2H3/t17?,18-/m1/s1.
What are the key properties of ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 6925639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).