N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

C12H13N3O3S — CID 46287275

IUPACN-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc2ccccn2n1
InChIInChI=1S/C12H13N3O3S/c16-12(13-9-4-6-19(17,18)8-9)11-7-10-3-1-2-5-15(10)14-11/h1-3,5,7,9H,4,6,8H2,(H,13,16)
InChIKeyYFJOQKZROLRUNU-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.25
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 46287275) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID46287275
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc2ccccn2n1
InChIInChI=1S/C12H13N3O3S/c16-12(13-9-4-6-19(17,18)8-9)11-7-10-3-1-2-5-15(10)14-11/h1-3,5,7,9H,4,6,8H2,(H,13,16)
InChIKeyYFJOQKZROLRUNU-UHFFFAOYSA-N
XLogP0.25
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 75768802
4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide
CID 59539028
N-(1,1-dioxothiolan-3-yl)cinnoline-3-carboxamide
CID 110705072
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 110689494
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 96556888
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
3-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-5-carboxamide
CID 27710537
3-N-(1,1-dioxothiolan-3-yl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109055570
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 46287275) is N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc2ccccn2n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is YFJOQKZROLRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-12(13-9-4-6-19(17,18)8-9)11-7-10-3-1-2-5-15(10)14-11/h1-3,5,7,9H,4,6,8H2,(H,13,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 46287275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).