methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate

C19H18N2O4 — CID 95305525

IUPACmethyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C19H18N2O4/c1-25-19(24)16-10-12-5-2-3-8-15(12)21(16)18(23)13-9-11-6-4-7-14(11)20-17(13)22/h2-3,5,8-9,16H,4,6-7,10H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyYPCWNJMVIFXAOQ-MRXNPFEDSA-N
MW338.36 g/mol
LogP1.61
Rot. Bonds2

About methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate

methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate (PubChem CID 95305525) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
PubChem CID95305525
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C19H18N2O4/c1-25-19(24)16-10-12-5-2-3-8-15(12)21(16)18(23)13-9-11-6-4-7-14(11)20-17(13)22/h2-3,5,8-9,16H,4,6-7,10H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyYPCWNJMVIFXAOQ-MRXNPFEDSA-N
XLogP1.61
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-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

methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
CID 95593895
methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95762876
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
methyl (2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate;hydrate
CID 86585807
methyl (2R)-1-[2-(4-bromophenoxy)acetyl]-2,3-dihydroindole-2-carboxylate
CID 52504702
methyl (2S)-1-(1-phenylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95345888
methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate
CID 56548332
3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125007181
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51596082
methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
CID 66495211
methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate
CID 167857956
methyl 1-[1-(2-methylpropyl)pyrazole-4-carbonyl]-2,3-dihydroindole-2-carboxylate
CID 86786576

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate (CID 95305525) is methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate is COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate?
The InChIKey is YPCWNJMVIFXAOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-19(24)16-10-12-5-2-3-8-15(12)21(16)18(23)13-9-11-6-4-7-14(11)20-17(13)22/h2-3,5,8-9,16H,4,6-7,10H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate?
methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 95305525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).