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

C28H24N2O2 — CID 135061790

IUPAC1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2cc3cc(-c4ccc(OC)cc4)n(Cc4ccccc4)c3cn2)cc1
InChIInChI=1S/C28H24N2O2/c1-31-24-12-8-21(9-13-24)26-16-23-17-27(22-10-14-25(32-2)15-11-22)30(28(23)18-29-26)19-20-6-4-3-5-7-20/h3-18H,19H2,1-2H3
InChIKeyQOXOLDZEASLGNT-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.44
Rot. Bonds6

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

1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 135061790) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
PubChem CID135061790
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2cc3cc(-c4ccc(OC)cc4)n(Cc4ccccc4)c3cn2)cc1
InChIInChI=1S/C28H24N2O2/c1-31-24-12-8-21(9-13-24)26-16-23-17-27(22-10-14-25(32-2)15-11-22)30(28(23)18-29-26)19-20-6-4-3-5-7-20/h3-18H,19H2,1-2H3
InChIKeyQOXOLDZEASLGNT-UHFFFAOYSA-N
XLogP6.44
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-(5-methoxy-2-pyridinyl)indole
CID 157451859
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
16-benzyl-5-(4-methoxyphenyl)-3,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
CID 171780789
1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
CID 134913635
6-methoxy-3-phenylisoquinoline
CID 68806176
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one
CID 176909533
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
methyl 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)pyrrole-3-carboxylate
CID 101437272
1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
CID 134961907

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine (CID 135061790) is 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine is COc1ccc(-c2cc3cc(-c4ccc(OC)cc4)n(Cc4ccccc4)c3cn2)cc1.
What is the InChIKey of 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is QOXOLDZEASLGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-31-24-12-8-21(9-13-24)26-16-23-17-27(22-10-14-25(32-2)15-11-22)30(28(23)18-29-26)19-20-6-4-3-5-7-20/h3-18H,19H2,1-2H3.
What are the key properties of 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine?
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 420.51 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 135061790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).