5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one

C18H12N6OS — CID 86660007

IUPAC5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1[nH]nc2c3ccccc3n(Cc3ccc(-c4cscn4)nc3)nc1-2
InChIInChI=1S/C18H12N6OS/c25-18-17-16(21-22-18)12-3-1-2-4-15(12)24(23-17)8-11-5-6-13(19-7-11)14-9-26-10-20-14/h1-7,9-10H,8H2,(H,22,25)
InChIKeyIUOHULRZIMMLSO-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.79
Rot. Bonds3

About 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one

5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 86660007) has the molecular formula C18H12N6OS and a molecular weight of 360.40 g/mol. Its IUPAC name is 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one
PubChem CID86660007
Molecular FormulaC18H12N6OS
Molecular Weight360.40 g/mol
Exact Mass360.08
IUPAC Name5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1[nH]nc2c3ccccc3n(Cc3ccc(-c4cscn4)nc3)nc1-2
InChIInChI=1S/C18H12N6OS/c25-18-17-16(21-22-18)12-3-1-2-4-15(12)24(23-17)8-11-5-6-13(19-7-11)14-9-26-10-20-14/h1-7,9-10H,8H2,(H,22,25)
InChIKeyIUOHULRZIMMLSO-UHFFFAOYSA-N
XLogP2.79
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one 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 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one (CID 86660007) is 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one is O=c1[nH]nc2c3ccccc3n(Cc3ccc(-c4cscn4)nc3)nc1-2.
What is the InChIKey of 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is IUOHULRZIMMLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6OS/c25-18-17-16(21-22-18)12-3-1-2-4-15(12)24(23-17)8-11-5-6-13(19-7-11)14-9-26-10-20-14/h1-7,9-10H,8H2,(H,22,25).
What are the key properties of 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one?
5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 360.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]-2H-pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 86660007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).