4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C17H16N6O2 — CID 66495037

IUPAC4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1nc(-n2c(C)c3c(=O)n(-c4ccccc4C)[nH]c3cc2=O)n[nH]1
InChIInChI=1S/C17H16N6O2/c1-9-6-4-5-7-13(9)23-16(25)15-10(2)22(14(24)8-12(15)21-23)17-18-11(3)19-20-17/h4-8,21H,1-3H3,(H,18,19,20)
InChIKeyZNHIKKFDBKOKNE-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.51
Rot. Bonds2

About 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66495037) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66495037
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1nc(-n2c(C)c3c(=O)n(-c4ccccc4C)[nH]c3cc2=O)n[nH]1
InChIInChI=1S/C17H16N6O2/c1-9-6-4-5-7-13(9)23-16(25)15-10(2)22(14(24)8-12(15)21-23)17-18-11(3)19-20-17/h4-8,21H,1-3H3,(H,18,19,20)
InChIKeyZNHIKKFDBKOKNE-UHFFFAOYSA-N
XLogP1.51
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495017
5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494961
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494834
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495161
2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557325
5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494844
2-(2-methylphenyl)-1H-benzo[f]indazole-3,4,9-trione
CID 167525461
5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494969
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495193
2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 158842499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66495037) is 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1nc(-n2c(C)c3c(=O)n(-c4ccccc4C)[nH]c3cc2=O)n[nH]1.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is ZNHIKKFDBKOKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-9-6-4-5-7-13(9)23-16(25)15-10(2)22(14(24)8-12(15)21-23)17-18-11(3)19-20-17/h4-8,21H,1-3H3,(H,18,19,20).
What are the key properties of 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 336.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66495037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).