7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride

C19H21ClN2O4 — CID 68706897

IUPAC7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
SMILESCOCn1c(C)c(C)c2nccc(OCc3ccc4c(c3)OCO4)c21.Cl
InChIInChI=1S/C19H20N2O4.ClH/c1-12-13(2)21(10-22-3)19-16(6-7-20-18(12)19)23-9-14-4-5-15-17(8-14)25-11-24-15;/h4-8H,9-11H2,1-3H3;1H
InChIKeyGQLBBRQCTHVMII-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.99
Rot. Bonds5

About 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride

7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride (PubChem CID 68706897) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
PubChem CID68706897
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
SMILESCOCn1c(C)c(C)c2nccc(OCc3ccc4c(c3)OCO4)c21.Cl
InChIInChI=1S/C19H20N2O4.ClH/c1-12-13(2)21(10-22-3)19-16(6-7-20-18(12)19)23-9-14-4-5-15-17(8-14)25-11-24-15;/h4-8H,9-11H2,1-3H3;1H
InChIKeyGQLBBRQCTHVMII-UHFFFAOYSA-N
XLogP3.99
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride with MolForge

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Related Compounds

7-(1,3-benzodioxol-5-ylmethoxy)-2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine
CID 68700689
7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide
CID 68707273
7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
CID 11718475
7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11718476
4-(1,3-benzodioxol-5-ylmethoxy)-3-methylbenzaldehyde
CID 79111108
[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
CID 81253350
1-benzyl-2,3-dimethyl-7-[(4-propan-2-ylphenyl)methoxy]pyrrolo[3,2-b]pyridine;hydrochloride
CID 68704803
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
2-(1,3-benzodioxol-5-ylmethoxy)aniline
CID 11791381
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462
1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292141

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride?
The IUPAC name of 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride (CID 68706897) is 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride.
What is the SMILES notation for 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride?
The canonical SMILES for 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride is COCn1c(C)c(C)c2nccc(OCc3ccc4c(c3)OCO4)c21.Cl.
What is the InChIKey of 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride?
The InChIKey is GQLBBRQCTHVMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4.ClH/c1-12-13(2)21(10-22-3)19-16(6-7-20-18(12)19)23-9-14-4-5-15-17(8-14)25-11-24-15;/h4-8H,9-11H2,1-3H3;1H.
What are the key properties of 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride?
7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-ylmethoxy)-1-(methoxymethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride is sourced from PubChem (CID 68706897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).