1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone

C14H11N3O — CID 76849323

IUPAC1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ncc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C14H11N3O/c1-10(18)17-14-8-7-12(16-13(14)9-15-17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCATQXCBZMAILQU-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.76
Rot. Bonds1

About 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone

1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone (PubChem CID 76849323) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone
PubChem CID76849323
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ncc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C14H11N3O/c1-10(18)17-14-8-7-12(16-13(14)9-15-17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCATQXCBZMAILQU-UHFFFAOYSA-N
XLogP2.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetylcinnolin-4-one
CID 124800044
N-hydroxy-3-phenyl-2-(5-pyrimidin-5-ylpyrazolo[4,5-b]pyridin-1-yl)propanamide
CID 126601596
6-phenylpyrazolo[4,3-c]pyridine-1-carboxamide
CID 173249178
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
1-[5-[4-(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazol-1-yl]ethanone
CID 118927380
1-(4-quinolin-2-ylphenyl)ethanone
CID 39226651
3-methyl-6-phenylpyridine-2-carboxylic acid
CID 71435914
iridium;tris(2-phenylquinoline)
CID 122129463
1-(7-methylindazol-1-yl)ethanone
CID 12639175
carboxy-(2-chloro-6-phenyl-3-pyridinyl)carbamic acid
CID 87551051
tert-butyl carbamate;2-phenylquinoline
CID 175279486
1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
CID 161306224

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone (CID 76849323) is 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone is CC(=O)n1ncc2nc(-c3ccccc3)ccc21.
What is the InChIKey of 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone?
The InChIKey is CATQXCBZMAILQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10(18)17-14-8-7-12(16-13(14)9-15-17)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone?
1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone has a molecular weight of 237.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylpyrazolo[4,5-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 76849323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).