3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine

C20H16N2O — CID 86056661

IUPAC3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)[nH]c3cccnc23)cc1
InChIInChI=1S/C20H16N2O/c1-23-16-11-9-14(10-12-16)18-19(15-6-3-2-4-7-15)22-17-8-5-13-21-20(17)18/h2-13,22H,1H3
InChIKeyRRLHAEKOMSAQBA-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.91
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine

3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 86056661) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID86056661
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)[nH]c3cccnc23)cc1
InChIInChI=1S/C20H16N2O/c1-23-16-11-9-14(10-12-16)18-19(15-6-3-2-4-7-15)22-17-8-5-13-21-20(17)18/h2-13,22H,1H3
InChIKeyRRLHAEKOMSAQBA-UHFFFAOYSA-N
XLogP4.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 4029677
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CID 19027
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine (CID 86056661) is 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine is COc1ccc(-c2c(-c3ccccc3)[nH]c3cccnc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is RRLHAEKOMSAQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-16-11-9-14(10-12-16)18-19(15-6-3-2-4-7-15)22-17-8-5-13-21-20(17)18/h2-13,22H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine?
3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 300.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 86056661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).