1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone

C15H12N2O — CID 165056065

IUPAC1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1cnc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C15H12N2O/c1-11(18)13-9-12-7-8-17(15(12)16-10-13)14-5-3-2-4-6-14/h2-10H,1H3
InChIKeyUXRGPQNCDBJETF-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.23
Rot. Bonds2

About 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone

1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone (PubChem CID 165056065) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone
PubChem CID165056065
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1cnc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C15H12N2O/c1-11(18)13-9-12-7-8-17(15(12)16-10-13)14-5-3-2-4-6-14/h2-10H,1H3
InChIKeyUXRGPQNCDBJETF-UHFFFAOYSA-N
XLogP3.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
carbon dioxide;[(3S)-3-methylpiperidin-1-yl]-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)methanone;sulfane
CID 165105605
[1-(3-methylsulfinylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 178044013
1-(5-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167016068
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
4-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
CID 167082153
(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 175586985
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
1-[4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 177185591
[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 164969812
piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 156810735
2-[4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]acetic acid
CID 164956538

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone (CID 165056065) is 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone is CC(=O)c1cnc2c(ccn2-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone?
The InChIKey is UXRGPQNCDBJETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11(18)13-9-12-7-8-17(15(12)16-10-13)14-5-3-2-4-6-14/h2-10H,1H3.
What are the key properties of 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone?
1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 165056065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).