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

C23H22Cl2N2O — CID 67141858

IUPAC7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESCOc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccc(Cl)cc4)c32)c1.Cl
InChIInChI=1S/C23H21ClN2O.ClH/c1-15-16(2)26(14-17-5-4-6-20(13-17)27-3)23-21(15)11-12-25-22(23)18-7-9-19(24)10-8-18;/h4-13H,14H2,1-3H3;1H
InChIKeyJHFCPESQTNXSBF-UHFFFAOYSA-N
MW413.35 g/mol
LogP6.45
Rot. Bonds4

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

7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 67141858) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID67141858
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESCOc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccc(Cl)cc4)c32)c1.Cl
InChIInChI=1S/C23H21ClN2O.ClH/c1-15-16(2)26(14-17-5-4-6-20(13-17)27-3)23-21(15)11-12-25-22(23)18-7-9-19(24)10-8-18;/h4-13H,14H2,1-3H3;1H
InChIKeyJHFCPESQTNXSBF-UHFFFAOYSA-N
XLogP6.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (CID 67141858) is 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is COc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccc(Cl)cc4)c32)c1.Cl.
What is the InChIKey of 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is JHFCPESQTNXSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O.ClH/c1-15-16(2)26(14-17-5-4-6-20(13-17)27-3)23-21(15)11-12-25-22(23)18-7-9-19(24)10-8-18;/h4-13H,14H2,1-3H3;1H.
What are the key properties of 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 413.35 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 67141858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).