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

C19H16N4O2 — CID 4112136

IUPAC4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1cccnc1
InChIInChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
InChIKeyISLQXEIRVZXLJA-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.23
Rot. Bonds3

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

4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 4112136) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID4112136
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1cccnc1
InChIInChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
InChIKeyISLQXEIRVZXLJA-UHFFFAOYSA-N
XLogP2.23
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.23
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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Related Compounds

5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557326
4-(3-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71558146
2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557325
2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358136
2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494735
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250755
6-chloro-1,3-bis(pyridin-3-ylmethyl)pyrimidine-2,4-dione
CID 170005837
5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358213
4-acetamido-2-methyl-6-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 91310443
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494761

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 4112136) is 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1cccnc1.
What is the InChIKey of 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is ISLQXEIRVZXLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3.
What are the key properties of 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 332.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 4112136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).