N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

C12H11N3O3S — CID 95727324

IUPACN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc2ccnn12
InChIInChI=1S/C12H11N3O3S/c16-12(14-9-5-7-19(17,18)8-9)11-3-1-2-10-4-6-13-15(10)11/h1-7,9H,8H2,(H,14,16)/t9-/m0/s1
InChIKeyAFTLSIWHKOOMEH-VIFPVBQESA-N
MW277.31 g/mol
LogP0.37
Rot. Bonds2

About N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 95727324) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID95727324
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc2ccnn12
InChIInChI=1S/C12H11N3O3S/c16-12(14-9-5-7-19(17,18)8-9)11-3-1-2-10-4-6-13-15(10)11/h1-7,9H,8H2,(H,14,16)/t9-/m0/s1
InChIKeyAFTLSIWHKOOMEH-VIFPVBQESA-N
XLogP0.37
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide (CID 95727324) is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide is O=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc2ccnn12.
What is the InChIKey of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is AFTLSIWHKOOMEH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-12(14-9-5-7-19(17,18)8-9)11-3-1-2-10-4-6-13-15(10)11/h1-7,9H,8H2,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide?
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 95727324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).