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

C19H16N4O2 — CID 90460292

IUPAC4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1ccccc1-c1c2c(=O)[nH][nH]c2cc(=O)n1Cc1ccccn1
InChIInChI=1S/C19H16N4O2/c1-12-6-2-3-8-14(12)18-17-15(21-22-19(17)25)10-16(24)23(18)11-13-7-4-5-9-20-13/h2-10,21H,11H2,1H3,(H,22,25)
InChIKeyCINRFFAZQUUMMZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.44
Rot. Bonds3

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

4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 90460292) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID90460292
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1ccccc1-c1c2c(=O)[nH][nH]c2cc(=O)n1Cc1ccccn1
InChIInChI=1S/C19H16N4O2/c1-12-6-2-3-8-14(12)18-17-15(21-22-19(17)25)10-16(24)23(18)11-13-7-4-5-9-20-13/h2-10,21H,11H2,1H3,(H,22,25)
InChIKeyCINRFFAZQUUMMZ-UHFFFAOYSA-N
XLogP2.44
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione (CID 90460292) is 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione is Cc1ccccc1-c1c2c(=O)[nH][nH]c2cc(=O)n1Cc1ccccn1.
What is the InChIKey of 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is CINRFFAZQUUMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-6-2-3-8-14(12)18-17-15(21-22-19(17)25)10-16(24)23(18)11-13-7-4-5-9-20-13/h2-10,21H,11H2,1H3,(H,22,25).
What are the key properties of 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione?
4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 332.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-5-(pyridin-2-ylmethyl)-1,2-dihydropyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 90460292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).