5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C21H17ClN2O2 — CID 118709549

IUPAC5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)cc1OC
InChIInChI=1S/C21H17ClN2O2/c1-25-19-8-5-14(10-20(19)26-2)18-12-24-21-17(18)9-15(11-23-21)13-3-6-16(22)7-4-13/h3-12H,1-2H3,(H,23,24)
InChIKeyCJIHUKJIZSCQLV-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.57
Rot. Bonds4

About 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118709549) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118709549
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)cc1OC
InChIInChI=1S/C21H17ClN2O2/c1-25-19-8-5-14(10-20(19)26-2)18-12-24-21-17(18)9-15(11-23-21)13-3-6-16(22)7-4-13/h3-12H,1-2H3,(H,23,24)
InChIKeyCJIHUKJIZSCQLV-UHFFFAOYSA-N
XLogP5.57
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 118709549) is 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)cc1OC.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CJIHUKJIZSCQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-25-19-8-5-14(10-20(19)26-2)18-12-24-21-17(18)9-15(11-23-21)13-3-6-16(22)7-4-13/h3-12H,1-2H3,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 364.83 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118709549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).