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

C29H24N6O — CID 46897664

IUPAC2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1cnccc1-c1ccc(Cn2nc3c(=O)n(-c4cccc(C)c4C)nc-3c3ccccc32)cn1
InChIInChI=1S/C29H24N6O/c1-18-7-6-10-25(20(18)3)35-29(36)28-27(33-35)23-8-4-5-9-26(23)34(32-28)17-21-11-12-24(31-16-21)22-13-14-30-15-19(22)2/h4-16H,17H2,1-3H3
InChIKeyHLGWIJPXMJGBEK-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.12
Rot. Bonds4

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

2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46897664) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46897664
Molecular FormulaC29H24N6O
Molecular Weight472.55 g/mol
Exact Mass472.20
IUPAC Name2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1cnccc1-c1ccc(Cn2nc3c(=O)n(-c4cccc(C)c4C)nc-3c3ccccc32)cn1
InChIInChI=1S/C29H24N6O/c1-18-7-6-10-25(20(18)3)35-29(36)28-27(33-35)23-8-4-5-9-26(23)34(32-28)17-21-11-12-24(31-16-21)22-13-14-30-15-19(22)2/h4-16H,17H2,1-3H3
InChIKeyHLGWIJPXMJGBEK-UHFFFAOYSA-N
XLogP5.12
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one with MolForge

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Related Compounds

2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897295
2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46896513
2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897110
2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897197
5-benzyl-1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7532859
2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
CID 139237980
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
CID 118724594
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
CID 118352521
3-methyl-4-naphthalen-1-ylpyridine
CID 12872900
2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001562
4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
CID 166185401
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46897664) is 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is Cc1cnccc1-c1ccc(Cn2nc3c(=O)n(-c4cccc(C)c4C)nc-3c3ccccc32)cn1.
What is the InChIKey of 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is HLGWIJPXMJGBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O/c1-18-7-6-10-25(20(18)3)35-29(36)28-27(33-35)23-8-4-5-9-26(23)34(32-28)17-21-11-12-24(31-16-21)22-13-14-30-15-19(22)2/h4-16H,17H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 472.55 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46897664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).