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

C25H18N6OS — CID 46897012

IUPAC2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(-c4cscn4)nc3)nc-2c1=O
InChIInChI=1S/C25H18N6OS/c1-16-6-2-4-8-21(16)31-25(32)24-23(29-31)18-7-3-5-9-22(18)30(28-24)13-17-10-11-19(26-12-17)20-14-33-15-27-20/h2-12,14-15H,13H2,1H3
InChIKeyXUCQBNPBSUWYQZ-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.56
Rot. Bonds4

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

2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46897012) has the molecular formula C25H18N6OS and a molecular weight of 450.53 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46897012
Molecular FormulaC25H18N6OS
Molecular Weight450.53 g/mol
Exact Mass450.13
IUPAC Name2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(-c4cscn4)nc3)nc-2c1=O
InChIInChI=1S/C25H18N6OS/c1-16-6-2-4-8-21(16)31-25(32)24-23(29-31)18-7-3-5-9-22(18)30(28-24)13-17-10-11-19(26-12-17)20-14-33-15-27-20/h2-12,14-15H,13H2,1H3
InChIKeyXUCQBNPBSUWYQZ-UHFFFAOYSA-N
XLogP4.56
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46897012) is 2-(2-methylphenyl)-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-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is Cc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(-c4cscn4)nc3)nc-2c1=O.
What is the InChIKey of 2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is XUCQBNPBSUWYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6OS/c1-16-6-2-4-8-21(16)31-25(32)24-23(29-31)18-7-3-5-9-22(18)30(28-24)13-17-10-11-19(26-12-17)20-14-33-15-27-20/h2-12,14-15H,13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 450.53 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46897012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).