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

C20H18N4O2 — CID 25014586

IUPAC4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1ccccc1-n1[nH]c2cc(=O)n(Cc3ccccn3)c(C)c2c1=O
InChIInChI=1S/C20H18N4O2/c1-13-7-3-4-9-17(13)24-20(26)19-14(2)23(18(25)11-16(19)22-24)12-15-8-5-6-10-21-15/h3-11,22H,12H2,1-2H3
InChIKeyFJPUXMVNLPHRCZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.54
Rot. Bonds3

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

4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 25014586) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID25014586
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1ccccc1-n1[nH]c2cc(=O)n(Cc3ccccn3)c(C)c2c1=O
InChIInChI=1S/C20H18N4O2/c1-13-7-3-4-9-17(13)24-20(26)19-14(2)23(18(25)11-16(19)22-24)12-15-8-5-6-10-21-15/h3-11,22H,12H2,1-2H3
InChIKeyFJPUXMVNLPHRCZ-UHFFFAOYSA-N
XLogP2.54
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 25014586) is 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1ccccc1-n1[nH]c2cc(=O)n(Cc3ccccn3)c(C)c2c1=O.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is FJPUXMVNLPHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-7-3-4-9-17(13)24-20(26)19-14(2)23(18(25)11-16(19)22-24)12-15-8-5-6-10-21-15/h3-11,22H,12H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 346.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 25014586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).