2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine

C22H19FN2O — CID 141318000

IUPAC2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine
SMILESCOc1ccc2c(cc(Cc3cccc(F)c3C)n2-c2ccccc2)n1
InChIInChI=1S/C22H19FN2O/c1-15-16(7-6-10-19(15)23)13-18-14-20-21(11-12-22(24-20)26-2)25(18)17-8-4-3-5-9-17/h3-12,14H,13H2,1-2H3
InChIKeyAXMOPZSVCNIZJN-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.07
Rot. Bonds4

About 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine

2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine (PubChem CID 141318000) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine
PubChem CID141318000
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine
SMILESCOc1ccc2c(cc(Cc3cccc(F)c3C)n2-c2ccccc2)n1
InChIInChI=1S/C22H19FN2O/c1-15-16(7-6-10-19(15)23)13-18-14-20-21(11-12-22(24-20)26-2)25(18)17-8-4-3-5-9-17/h3-12,14H,13H2,1-2H3
InChIKeyAXMOPZSVCNIZJN-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(Z)-3-fluoro-4-(5-methoxy-2-methyl-3-(3-(methylthio)phenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)but-2-en-1-amine
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CID 118059692
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Abcb1-IN-3
CID 172676899
3-(3-Fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-phenylpyrrolo[2,3-c]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine?
The IUPAC name of 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine (CID 141318000) is 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine is COc1ccc2c(cc(Cc3cccc(F)c3C)n2-c2ccccc2)n1.
What is the InChIKey of 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine?
The InChIKey is AXMOPZSVCNIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-15-16(7-6-10-19(15)23)13-18-14-20-21(11-12-22(24-20)26-2)25(18)17-8-4-3-5-9-17/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine?
2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine has a molecular weight of 346.41 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-methylphenyl)methyl]-5-methoxy-1-phenylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 141318000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).