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

C20H16N2O — CID 135061328

IUPAC1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccccc3)cc3ncccc32)cc1
InChIInChI=1S/C20H16N2O/c1-23-17-11-9-16(10-12-17)22-19-8-5-13-21-18(19)14-20(22)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyUNRSOIKQSYISED-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.70
Rot. Bonds3

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

1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine (PubChem CID 135061328) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine
PubChem CID135061328
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccccc3)cc3ncccc32)cc1
InChIInChI=1S/C20H16N2O/c1-23-17-11-9-16(10-12-17)22-19-8-5-13-21-18(19)14-20(22)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyUNRSOIKQSYISED-UHFFFAOYSA-N
XLogP4.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
CID 5376026
1-(4-methoxyphenyl)-1H-indole
CID 775715
3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine
CID 4029677
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
N-butylharmine
CID 486624
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
[2-(5-Methoxy-1-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 44263956
6-methoxy-1,2-dimethyl-9H-beta-carbolin-2-ium
CID 44419695
3-(hexa-1,3-dienyloxy)-9H-pyrido[3,4-b]indole
CID 52945666
(3r,4s)-1-[(2-Methoxyphenyl)methyl]-N,N-Dimethyl-4-(1-Methylindol-3-Yl)pyrrolidin-3-Amine
CID 124037093
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine (CID 135061328) is 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine is COc1ccc(-n2c(-c3ccccc3)cc3ncccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine?
The InChIKey is UNRSOIKQSYISED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-17-11-9-16(10-12-17)22-19-8-5-13-21-18(19)14-20(22)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine?
1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine has a molecular weight of 300.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 135061328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).