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

C20H17N3O3 — CID 66494834

IUPAC5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cccc(-n2[nH]c3cc(=O)n(-c4ccc(O)cc4)c(C)c3c2=O)c1
InChIInChI=1S/C20H17N3O3/c1-12-4-3-5-15(10-12)23-20(26)19-13(2)22(18(25)11-17(19)21-23)14-6-8-16(24)9-7-14/h3-11,21,24H,1-2H3
InChIKeyRTGHUWQKMMVTPZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.79
Rot. Bonds2

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

5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494834) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494834
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cccc(-n2[nH]c3cc(=O)n(-c4ccc(O)cc4)c(C)c3c2=O)c1
InChIInChI=1S/C20H17N3O3/c1-12-4-3-5-15(10-12)23-20(26)19-13(2)22(18(25)11-17(19)21-23)14-6-8-16(24)9-7-14/h3-11,21,24H,1-2H3
InChIKeyRTGHUWQKMMVTPZ-UHFFFAOYSA-N
XLogP2.79
TPSA80.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494844
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494746
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494761
5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494961
5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494836
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494735
5-tert-butyl-4-(hydroxymethyl)-2-(3-methylphenyl)-1H-pyrazol-3-one
CID 117123771
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
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 4112136
5-methyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-one
CID 16584464

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494834) is 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1cccc(-n2[nH]c3cc(=O)n(-c4ccc(O)cc4)c(C)c3c2=O)c1.
What is the InChIKey of 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is RTGHUWQKMMVTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-4-3-5-15(10-12)23-20(26)19-13(2)22(18(25)11-17(19)21-23)14-6-8-16(24)9-7-14/h3-11,21,24H,1-2H3.
What are the key properties of 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 347.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).