6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one

C18H13N3O — CID 53494817

IUPAC6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H13N3O/c22-17-10-13(9-16(21-17)12-5-2-1-3-6-12)15-11-20-18-14(15)7-4-8-19-18/h1-11H,(H,19,20)(H,21,22)
InChIKeyUKXRBRKYBUQMDB-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.59
Rot. Bonds2

About 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one

6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one (PubChem CID 53494817) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
PubChem CID53494817
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H13N3O/c22-17-10-13(9-16(21-17)12-5-2-1-3-6-12)15-11-20-18-14(15)7-4-8-19-18/h1-11H,(H,19,20)(H,21,22)
InChIKeyUKXRBRKYBUQMDB-UHFFFAOYSA-N
XLogP3.59
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one (CID 53494817) is 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one is O=c1cc(-c2c[nH]c3ncccc23)cc(-c2ccccc2)[nH]1.
What is the InChIKey of 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The InChIKey is UKXRBRKYBUQMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-17-10-13(9-16(21-17)12-5-2-1-3-6-12)15-11-20-18-14(15)7-4-8-19-18/h1-11H,(H,19,20)(H,21,22).
What are the key properties of 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one has a molecular weight of 287.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 53494817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).