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

C20H22Cl2N2O3 — CID 11718475

IUPAC7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
SMILESCc1c(C)n(CC2OCCO2)c2c(OCc3ccc(Cl)cc3)ccnc12.Cl
InChIInChI=1S/C20H21ClN2O3.ClH/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;1H
InChIKeyGRPWKBRCVSDRSD-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.68
Rot. Bonds5

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

7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride (PubChem CID 11718475) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
PubChem CID11718475
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
SMILESCc1c(C)n(CC2OCCO2)c2c(OCc3ccc(Cl)cc3)ccnc12.Cl
InChIInChI=1S/C20H21ClN2O3.ClH/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;1H
InChIKeyGRPWKBRCVSDRSD-UHFFFAOYSA-N
XLogP4.68
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11718476
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
1-[(2,5-dimethylphenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
CID 11618720
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
3-[[7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile
CID 11589868
1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
CID 11243259
[5-[(4-chlorophenyl)methoxy]-4-methyl-3-pyridinyl]boronic acid
CID 177270243

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;hydrochloride?
The IUPAC name of 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride (CID 11718475) is 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride.
What is the SMILES notation for 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride?
The canonical SMILES for 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride is Cc1c(C)n(CC2OCCO2)c2c(OCc3ccc(Cl)cc3)ccnc12.Cl.
What is the InChIKey of 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride?
The InChIKey is GRPWKBRCVSDRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3.ClH/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;1H.
What are the key properties of 7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride?
7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride has a molecular weight of 409.31 g/mol, XLogP of 4.68, 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;hydrochloride is sourced from PubChem (CID 11718475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).