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

C25H19N7OS — CID 58542114

IUPAC2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1nccc(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)c1C
InChIInChI=1S/C25H19N7OS/c1-15-16(2)26-10-9-21(15)32-25(33)24-23(30-32)18-5-3-4-6-22(18)31(29-24)12-17-7-8-19(27-11-17)20-13-34-14-28-20/h3-11,13-14H,12H2,1-2H3
InChIKeyOJFGSTUKAHWMAP-UHFFFAOYSA-N
MW465.54 g/mol
LogP4.27
Rot. Bonds4

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

2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 58542114) has the molecular formula C25H19N7OS and a molecular weight of 465.54 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID58542114
Molecular FormulaC25H19N7OS
Molecular Weight465.54 g/mol
Exact Mass465.14
IUPAC Name2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1nccc(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)c1C
InChIInChI=1S/C25H19N7OS/c1-15-16(2)26-10-9-21(15)32-25(33)24-23(30-32)18-5-3-4-6-22(18)31(29-24)12-17-7-8-19(27-11-17)20-13-34-14-28-20/h3-11,13-14H,12H2,1-2H3
InChIKeyOJFGSTUKAHWMAP-UHFFFAOYSA-N
XLogP4.27
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 58542114) is 2-(2,3-dimethyl-4-pyridinyl)-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-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is Cc1nccc(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)c1C.
What is the InChIKey of 2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is OJFGSTUKAHWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7OS/c1-15-16(2)26-10-9-21(15)32-25(33)24-23(30-32)18-5-3-4-6-22(18)31(29-24)12-17-7-8-19(27-11-17)20-13-34-14-28-20/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 465.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 58542114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).