methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate

C19H26N2O6 — CID 134431991

IUPACmethyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate
SMILESCCCC1(CCC(=O)OC)C(=O)N(CCC(=O)OC)c2ncc(OC)cc21
InChIInChI=1S/C19H26N2O6/c1-5-8-19(9-6-15(22)26-3)14-11-13(25-2)12-20-17(14)21(18(19)24)10-7-16(23)27-4/h11-12H,5-10H2,1-4H3
InChIKeyRXWUSEYTGIVTHR-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.99
Rot. Bonds9

About methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate

methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate (PubChem CID 134431991) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate
PubChem CID134431991
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Namemethyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate
SMILESCCCC1(CCC(=O)OC)C(=O)N(CCC(=O)OC)c2ncc(OC)cc21
InChIInChI=1S/C19H26N2O6/c1-5-8-19(9-6-15(22)26-3)14-11-13(25-2)12-20-17(14)21(18(19)24)10-7-16(23)27-4/h11-12H,5-10H2,1-4H3
InChIKeyRXWUSEYTGIVTHR-UHFFFAOYSA-N
XLogP1.99
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate 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

3-(2-fluorophenyl)-5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 67023741
4-[3-[3-(2-fluorophenyl)-5-methoxy-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propyl]piperidine-1-carboxylic acid
CID 67023746
4-[4-[3-(2-fluorophenyl)-5-methoxy-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]butyl]piperazine-1-carboxylic acid
CID 67023793
4-[3-[3-(2-fluorophenyl)-5-methoxy-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propyl]piperazine-1-carboxylic acid
CID 67023796
3-(4-chlorobutyl)-3-(2-fluorophenyl)-5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-one
CID 91097209
2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
CID 178005921
2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
CID 178005928
2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
CID 178005941
5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
CID 168926397
3-(4-Methoxyphenyl)-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one
CID 101569206
1-Benzyl-5-(benzyloxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CID 74892020
3-Methyl-6-(2'-oxopropyl)oxazolo[4.5-b]pyridin-2-(3H)-one
CID 15926017

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate?
The IUPAC name of methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate (CID 134431991) is methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate is CCCC1(CCC(=O)OC)C(=O)N(CCC(=O)OC)c2ncc(OC)cc21.
What is the InChIKey of methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate?
The InChIKey is RXWUSEYTGIVTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-5-8-19(9-6-15(22)26-3)14-11-13(25-2)12-20-17(14)21(18(19)24)10-7-16(23)27-4/h11-12H,5-10H2,1-4H3.
What are the key properties of methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate?
methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate has a molecular weight of 378.43 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate is sourced from PubChem (CID 134431991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).