1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine

C23H22N2 — CID 11843026

IUPAC1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine
SMILESCc1cn(CCC(c2ccccc2)c2ccccc2)c2ncccc12
InChIInChI=1S/C23H22N2/c1-18-17-25(23-21(18)13-8-15-24-23)16-14-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-13,15,17,22H,14,16H2,1H3
InChIKeyXNFOPFRCCUROEN-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.57
Rot. Bonds5

About 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine

1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine (PubChem CID 11843026) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine
PubChem CID11843026
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine
SMILESCc1cn(CCC(c2ccccc2)c2ccccc2)c2ncccc12
InChIInChI=1S/C23H22N2/c1-18-17-25(23-21(18)13-8-15-24-23)16-14-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-13,15,17,22H,14,16H2,1H3
InChIKeyXNFOPFRCCUROEN-UHFFFAOYSA-N
XLogP5.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine (CID 11843026) is 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine is Cc1cn(CCC(c2ccccc2)c2ccccc2)c2ncccc12.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine?
The InChIKey is XNFOPFRCCUROEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-18-17-25(23-21(18)13-8-15-24-23)16-14-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-13,15,17,22H,14,16H2,1H3.
What are the key properties of 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine?
1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine has a molecular weight of 326.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11843026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).