2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate

C24H22N2O2 — CID 10893987

IUPAC2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate
SMILESCC(=O)OCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ncccc12
InChIInChI=1S/C24H22N2O2/c1-18(27)28-16-14-21-22-13-8-15-25-24(22)26(17-19-9-4-2-5-10-19)23(21)20-11-6-3-7-12-20/h2-13,15H,14,16-17H2,1H3
InChIKeyYLJBMLDZOWEODI-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.86
Rot. Bonds6

About 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate

2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate (PubChem CID 10893987) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate
PubChem CID10893987
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate
SMILESCC(=O)OCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ncccc12
InChIInChI=1S/C24H22N2O2/c1-18(27)28-16-14-21-22-13-8-15-25-24(22)26(17-19-9-4-2-5-10-19)23(21)20-11-6-3-7-12-20/h2-13,15H,14,16-17H2,1H3
InChIKeyYLJBMLDZOWEODI-UHFFFAOYSA-N
XLogP4.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate?
The IUPAC name of 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate (CID 10893987) is 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate.
What is the SMILES notation for 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate?
The canonical SMILES for 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate is CC(=O)OCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ncccc12.
What is the InChIKey of 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate?
The InChIKey is YLJBMLDZOWEODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-18(27)28-16-14-21-22-13-8-15-25-24(22)26(17-19-9-4-2-5-10-19)23(21)20-11-6-3-7-12-20/h2-13,15H,14,16-17H2,1H3.
What are the key properties of 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate?
2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate has a molecular weight of 370.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethyl acetate is sourced from PubChem (CID 10893987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).