2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone

C19H19N3O — CID 134807789

IUPAC2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3ccccc3)cc12)N1CCCC1
InChIInChI=1S/C19H19N3O/c23-18(22-8-4-5-9-22)11-16-13-21-19-17(16)10-15(12-20-19)14-6-2-1-3-7-14/h1-3,6-7,10,12-13H,4-5,8-9,11H2,(H,20,21)
InChIKeyKNGLZMAYRAYWOI-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.39
Rot. Bonds3

About 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone

2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 134807789) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone
PubChem CID134807789
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3ccccc3)cc12)N1CCCC1
InChIInChI=1S/C19H19N3O/c23-18(22-8-4-5-9-22)11-16-13-21-19-17(16)10-15(12-20-19)14-6-2-1-3-7-14/h1-3,6-7,10,12-13H,4-5,8-9,11H2,(H,20,21)
InChIKeyKNGLZMAYRAYWOI-UHFFFAOYSA-N
XLogP3.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone (CID 134807789) is 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone is O=C(Cc1c[nH]c2ncc(-c3ccccc3)cc12)N1CCCC1.
What is the InChIKey of 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is KNGLZMAYRAYWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-18(22-8-4-5-9-22)11-16-13-21-19-17(16)10-15(12-20-19)14-6-2-1-3-7-14/h1-3,6-7,10,12-13H,4-5,8-9,11H2,(H,20,21).
What are the key properties of 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone?
2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 305.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 134807789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).