7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine

C20H21ClN2O3 — CID 11718476

IUPAC7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(CC2OCCO2)c2c(OCc3ccc(Cl)cc3)ccnc12
InChIInChI=1S/C20H21ClN2O3/c1-13-14(2)23(11-18-24-9-10-25-18)20-17(7-8-22-19(13)20)26-12-15-3-5-16(21)6-4-15/h3-8,18H,9-12H2,1-2H3
InChIKeyDLOVDZHDBZUGER-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.26
Rot. Bonds5

About 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine

7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine (PubChem CID 11718476) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine
PubChem CID11718476
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(CC2OCCO2)c2c(OCc3ccc(Cl)cc3)ccnc12
InChIInChI=1S/C20H21ClN2O3/c1-13-14(2)23(11-18-24-9-10-25-18)20-17(7-8-22-19(13)20)26-12-15-3-5-16(21)6-4-15/h3-8,18H,9-12H2,1-2H3
InChIKeyDLOVDZHDBZUGER-UHFFFAOYSA-N
XLogP4.26
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine 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

7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
CID 11718475
1-[(4-tert-butylphenyl)methyl]-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11540031
1-benzyl-2,3-dimethyl-7-[(4-propan-2-ylphenyl)methoxy]pyrrolo[3,2-b]pyridine;hydrochloride
CID 68704803
methyl 4-[[7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]benzoate
CID 11532598
7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide
CID 68707273
7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11683091
7-(1,3-benzodioxol-5-ylmethoxy)-2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine
CID 68700689
7-[(4-bromophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 68705314
1-[(2,5-dimethylphenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
CID 11618720
3-[[7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile
CID 11589868
[5-[(4-chlorophenyl)methoxy]-4-methyl-3-pyridinyl]boronic acid
CID 177270243
1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
CID 11243259

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine?
The IUPAC name of 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine (CID 11718476) is 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine is Cc1c(C)n(CC2OCCO2)c2c(OCc3ccc(Cl)cc3)ccnc12.
What is the InChIKey of 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine?
The InChIKey is DLOVDZHDBZUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-14(2)23(11-18-24-9-10-25-18)20-17(7-8-22-19(13)20)26-12-15-3-5-16(21)6-4-15/h3-8,18H,9-12H2,1-2H3.
What are the key properties of 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine?
7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine has a molecular weight of 372.85 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11718476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).