2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one

C19H18Cl2N2O3 — CID 118377486

IUPAC2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1c2c(ccnc2OCC2CCCO2)CN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O3/c20-14-4-3-12(16(21)8-14)9-23-10-13-5-6-22-18(17(13)19(23)24)26-11-15-2-1-7-25-15/h3-6,8,15H,1-2,7,9-11H2
InChIKeyUGKMQIWWRPRWPT-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.10
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one

2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 118377486) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID118377486
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1c2c(ccnc2OCC2CCCO2)CN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O3/c20-14-4-3-12(16(21)8-14)9-23-10-13-5-6-22-18(17(13)19(23)24)26-11-15-2-1-7-25-15/h3-6,8,15H,1-2,7,9-11H2
InChIKeyUGKMQIWWRPRWPT-UHFFFAOYSA-N
XLogP4.10
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one 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

2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 90166977
2-[(2E)-2-[(Z)-3-bromoprop-1-enyl]penta-2,4-dienyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 118401645
(2-fluoro-3-iminoprop-1-enyl)-[4-[[3-oxo-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-2-yl]methyl]cyclohepta-1,3,5-trien-1-yl]azanium
CID 163944548
2-[[4-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-fluorophenyl]methyl]-7-(oxolan-2-ylmethoxy)-3H-isoindol-1-one
CID 131992812
N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326
5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886912
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 105383749
N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 112803371
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 131992685
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one (CID 118377486) is 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one is O=C1c2c(ccnc2OCC2CCCO2)CN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is UGKMQIWWRPRWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-14-4-3-12(16(21)8-14)9-23-10-13-5-6-22-18(17(13)19(23)24)26-11-15-2-1-7-25-15/h3-6,8,15H,1-2,7,9-11H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one?
2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 393.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 118377486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).