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

C26H20N6OS — CID 46897014

IUPAC2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1cccc(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)c1C
InChIInChI=1S/C26H20N6OS/c1-16-6-5-9-22(17(16)2)32-26(33)25-24(30-32)19-7-3-4-8-23(19)31(29-25)13-18-10-11-20(27-12-18)21-14-34-15-28-21/h3-12,14-15H,13H2,1-2H3
InChIKeyLAMNSALFIOYZGF-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.87
Rot. Bonds4

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

2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46897014) has the molecular formula C26H20N6OS and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46897014
Molecular FormulaC26H20N6OS
Molecular Weight464.55 g/mol
Exact Mass464.14
IUPAC Name2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1cccc(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)c1C
InChIInChI=1S/C26H20N6OS/c1-16-6-5-9-22(17(16)2)32-26(33)25-24(30-32)19-7-3-4-8-23(19)31(29-25)13-18-10-11-20(27-12-18)21-14-34-15-28-21/h3-12,14-15H,13H2,1-2H3
InChIKeyLAMNSALFIOYZGF-UHFFFAOYSA-N
XLogP4.87
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46897014) is 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is Cc1cccc(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is LAMNSALFIOYZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6OS/c1-16-6-5-9-22(17(16)2)32-26(33)25-24(30-32)19-7-3-4-8-23(19)31(29-25)13-18-10-11-20(27-12-18)21-14-34-15-28-21/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 464.55 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46897014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).