1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C18H16N4O3S — CID 22519974

IUPAC1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1cccnc1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C18H16N4O3S/c1-11-6-5-9-19-17(11)20-18(23)15-13-10-26(24,25)14-8-4-3-7-12(14)16(13)22(2)21-15/h3-9H,10H2,1-2H3,(H,19,20,23)
InChIKeyQSTAOXKZMWMIID-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.33
Rot. Bonds2

About 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22519974) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22519974
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1cccnc1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C18H16N4O3S/c1-11-6-5-9-19-17(11)20-18(23)15-13-10-26(24,25)14-8-4-3-7-12(14)16(13)22(2)21-15/h3-9H,10H2,1-2H3,(H,19,20,23)
InChIKeyQSTAOXKZMWMIID-UHFFFAOYSA-N
XLogP2.33
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22519974) is 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cc1cccnc1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2.
What is the InChIKey of 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is QSTAOXKZMWMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11-6-5-9-19-17(11)20-18(23)15-13-10-26(24,25)14-8-4-3-7-12(14)16(13)22(2)21-15/h3-9H,10H2,1-2H3,(H,19,20,23).
What are the key properties of 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-2-pyridinyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22519974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).