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

C19H17N5O2 — CID 66494961

IUPAC5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cc(C)cc(-n2c(C)c3c(=O)n(-c4ncccn4)[nH]c3cc2=O)c1
InChIInChI=1S/C19H17N5O2/c1-11-7-12(2)9-14(8-11)23-13(3)17-15(10-16(23)25)22-24(18(17)26)19-20-5-4-6-21-19/h4-10,22H,1-3H3
InChIKeyOLFWYBKLHFDENP-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.18
Rot. Bonds2

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

5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494961) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494961
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cc(C)cc(-n2c(C)c3c(=O)n(-c4ncccn4)[nH]c3cc2=O)c1
InChIInChI=1S/C19H17N5O2/c1-11-7-12(2)9-14(8-11)23-13(3)17-15(10-16(23)25)22-24(18(17)26)19-20-5-4-6-21-19/h4-10,22H,1-3H3
InChIKeyOLFWYBKLHFDENP-UHFFFAOYSA-N
XLogP2.18
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494969
5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494834
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494761
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494844
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
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495161
5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494746
5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495193
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 4112136
2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 16646021

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494961) is 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1cc(C)cc(-n2c(C)c3c(=O)n(-c4ncccn4)[nH]c3cc2=O)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is OLFWYBKLHFDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-7-12(2)9-14(8-11)23-13(3)17-15(10-16(23)25)22-24(18(17)26)19-20-5-4-6-21-19/h4-10,22H,1-3H3.
What are the key properties of 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 347.38 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).