2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone

C17H12N2OS — CID 103124123

IUPAC2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
SMILESO=C(Cc1csc2ccccc12)c1cnn2ccccc12
InChIInChI=1S/C17H12N2OS/c20-16(14-10-18-19-8-4-3-6-15(14)19)9-12-11-21-17-7-2-1-5-13(12)17/h1-8,10-11H,9H2
InChIKeyOPLOXERATDHGBC-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.97
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone

2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone (PubChem CID 103124123) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
PubChem CID103124123
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
SMILESO=C(Cc1csc2ccccc12)c1cnn2ccccc12
InChIInChI=1S/C17H12N2OS/c20-16(14-10-18-19-8-4-3-6-15(14)19)9-12-11-21-17-7-2-1-5-13(12)17/h1-8,10-11H,9H2
InChIKeyOPLOXERATDHGBC-UHFFFAOYSA-N
XLogP3.97
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 107311580
N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166341655
2-(2,4-difluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124128
1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 65360118
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124247
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639
1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119116
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124816
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124830
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone (CID 103124123) is 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone is O=C(Cc1csc2ccccc12)c1cnn2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The InChIKey is OPLOXERATDHGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c20-16(14-10-18-19-8-4-3-6-15(14)19)9-12-11-21-17-7-2-1-5-13(12)17/h1-8,10-11H,9H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone has a molecular weight of 292.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone is sourced from PubChem (CID 103124123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).