4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide

C15H19N3O4S — CID 176912917

IUPAC4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1c(=O)ccn2[nH]c(C(=O)NC3(C)CCS(=O)(=O)CC3)cc12
InChIInChI=1S/C15H19N3O4S/c1-10-12-9-11(17-18(12)6-3-13(10)19)14(20)16-15(2)4-7-23(21,22)8-5-15/h3,6,9,17H,4-5,7-8H2,1-2H3,(H,16,20)
InChIKeyLWALBYQMNPIGKF-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.63
Rot. Bonds2

About 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide

4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 176912917) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID176912917
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1c(=O)ccn2[nH]c(C(=O)NC3(C)CCS(=O)(=O)CC3)cc12
InChIInChI=1S/C15H19N3O4S/c1-10-12-9-11(17-18(12)6-3-13(10)19)14(20)16-15(2)4-7-23(21,22)8-5-15/h3,6,9,17H,4-5,7-8H2,1-2H3,(H,16,20)
InChIKeyLWALBYQMNPIGKF-UHFFFAOYSA-N
XLogP0.63
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide (CID 176912917) is 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide is Cc1c(=O)ccn2[nH]c(C(=O)NC3(C)CCS(=O)(=O)CC3)cc12.
What is the InChIKey of 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is LWALBYQMNPIGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-12-9-11(17-18(12)6-3-13(10)19)14(20)16-15(2)4-7-23(21,22)8-5-15/h3,6,9,17H,4-5,7-8H2,1-2H3,(H,16,20).
What are the key properties of 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide?
4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 176912917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).