1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride

C23H22ClFN2O — CID 67142061

IUPAC1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESCOc1ccc(-c2nccc3c(C)c(C)n(Cc4ccccc4F)c23)cc1.Cl
InChIInChI=1S/C23H21FN2O.ClH/c1-15-16(2)26(14-18-6-4-5-7-21(18)24)23-20(15)12-13-25-22(23)17-8-10-19(27-3)11-9-17;/h4-13H,14H2,1-3H3;1H
InChIKeyQBGCREFTBHENHV-UHFFFAOYSA-N
MW396.89 g/mol
LogP5.94
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride

1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 67142061) has the molecular formula C23H22ClFN2O and a molecular weight of 396.89 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID67142061
Molecular FormulaC23H22ClFN2O
Molecular Weight396.89 g/mol
Exact Mass396.14
IUPAC Name1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESCOc1ccc(-c2nccc3c(C)c(C)n(Cc4ccccc4F)c23)cc1.Cl
InChIInChI=1S/C23H21FN2O.ClH/c1-15-16(2)26(14-18-6-4-5-7-21(18)24)23-20(15)12-13-25-22(23)17-8-10-19(27-3)11-9-17;/h4-13H,14H2,1-3H3;1H
InChIKeyQBGCREFTBHENHV-UHFFFAOYSA-N
XLogP5.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.89
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (CID 67142061) is 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is COc1ccc(-c2nccc3c(C)c(C)n(Cc4ccccc4F)c23)cc1.Cl.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is QBGCREFTBHENHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O.ClH/c1-15-16(2)26(14-18-6-4-5-7-21(18)24)23-20(15)12-13-25-22(23)17-8-10-19(27-3)11-9-17;/h4-13H,14H2,1-3H3;1H.
What are the key properties of 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 396.89 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-7-(4-methoxyphenyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 67142061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).