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

C12H12ClN3O3S — CID 75768802

IUPAC3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1nn2ccccc2c1Cl
InChIInChI=1S/C12H12ClN3O3S/c13-10-9-3-1-2-5-16(9)15-11(10)12(17)14-8-4-6-20(18,19)7-8/h1-3,5,8H,4,6-7H2,(H,14,17)
InChIKeyPKINNIBIBQFHQA-UHFFFAOYSA-N
MW313.77 g/mol
LogP0.90
Rot. Bonds2

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

3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 75768802) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID75768802
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1nn2ccccc2c1Cl
InChIInChI=1S/C12H12ClN3O3S/c13-10-9-3-1-2-5-16(9)15-11(10)12(17)14-8-4-6-20(18,19)7-8/h1-3,5,8H,4,6-7H2,(H,14,17)
InChIKeyPKINNIBIBQFHQA-UHFFFAOYSA-N
XLogP0.90
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287275
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070870
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
5-chloro-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)benzamide
CID 55042392
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 103980277
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 7047579
N-(1,1-dioxothiolan-3-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18137645
5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide
CID 95740908
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 75768802) is 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1nn2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is PKINNIBIBQFHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c13-10-9-3-1-2-5-16(9)15-11(10)12(17)14-8-4-6-20(18,19)7-8/h1-3,5,8H,4,6-7H2,(H,14,17).
What are the key properties of 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 313.77 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 75768802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).