1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine

C27H20F2N2O — CID 135061459

IUPAC1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2cc3cc(-c4cc(F)cc(F)c4)ncc3n2Cc2ccccc2)cc1
InChIInChI=1S/C27H20F2N2O/c1-32-24-9-7-19(8-10-24)26-14-21-13-25(20-11-22(28)15-23(29)12-20)30-16-27(21)31(26)17-18-5-3-2-4-6-18/h2-16H,17H2,1H3
InChIKeyNTGUBRJKZGPWKP-UHFFFAOYSA-N
MW426.47 g/mol
LogP6.71
Rot. Bonds5

About 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine

1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 135061459) has the molecular formula C27H20F2N2O and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
PubChem CID135061459
Molecular FormulaC27H20F2N2O
Molecular Weight426.47 g/mol
Exact Mass426.15
IUPAC Name1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2cc3cc(-c4cc(F)cc(F)c4)ncc3n2Cc2ccccc2)cc1
InChIInChI=1S/C27H20F2N2O/c1-32-24-9-7-19(8-10-24)26-14-21-13-25(20-11-22(28)15-23(29)12-20)30-16-27(21)31(26)17-18-5-3-2-4-6-18/h2-16H,17H2,1H3
InChIKeyNTGUBRJKZGPWKP-UHFFFAOYSA-N
XLogP6.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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7-Methoxy-1,2-dimethyl-2H-pyrido(3,4-b)indole
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine (CID 135061459) is 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine is COc1ccc(-c2cc3cc(-c4cc(F)cc(F)c4)ncc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is NTGUBRJKZGPWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N2O/c1-32-24-9-7-19(8-10-24)26-14-21-13-25(20-11-22(28)15-23(29)12-20)30-16-27(21)31(26)17-18-5-3-2-4-6-18/h2-16H,17H2,1H3.
What are the key properties of 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine?
1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 426.47 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 135061459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).