2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine

C40H32N4O2 — CID 139192068

IUPAC2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2cc3ncccc3n2-c2ccccc2)cc1.COc1ccc(-c2cc3ncccc3n2-c2ccccc2)cc1
InChIInChI=1S/2C20H16N2O/c2*1-23-17-11-9-15(10-12-17)20-14-18-19(8-5-13-21-18)22(20)16-6-3-2-4-7-16/h2*2-14H,1H3
InChIKeyYKQHCFGWCBHOIL-UHFFFAOYSA-N
MW600.72 g/mol
LogP9.40
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine

2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine (PubChem CID 139192068) has the molecular formula C40H32N4O2 and a molecular weight of 600.72 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine
PubChem CID139192068
Molecular FormulaC40H32N4O2
Molecular Weight600.72 g/mol
Exact Mass600.25
IUPAC Name2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2cc3ncccc3n2-c2ccccc2)cc1.COc1ccc(-c2cc3ncccc3n2-c2ccccc2)cc1
InChIInChI=1S/2C20H16N2O/c2*1-23-17-11-9-15(10-12-17)20-14-18-19(8-5-13-21-18)22(20)16-6-3-2-4-7-16/h2*2-14H,1H3
InChIKeyYKQHCFGWCBHOIL-UHFFFAOYSA-N
XLogP9.40
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine (CID 139192068) is 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine is COc1ccc(-c2cc3ncccc3n2-c2ccccc2)cc1.COc1ccc(-c2cc3ncccc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine?
The InChIKey is YKQHCFGWCBHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16N2O/c2*1-23-17-11-9-15(10-12-17)20-14-18-19(8-5-13-21-18)22(20)16-6-3-2-4-7-16/h2*2-14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine?
2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine has a molecular weight of 600.72 g/mol, XLogP of 9.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-phenylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 139192068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).