4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione

C20H15N3O2 — CID 23558242

IUPAC4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione
SMILESC=c1c(C)c2c(n(-c3ccccc3)c1=O)=NN(c1ccccc1)C2=O
InChIInChI=1S/C20H15N3O2/c1-13-14(2)19(24)22(15-9-5-3-6-10-15)18-17(13)20(25)23(21-18)16-11-7-4-8-12-16/h3-12H,2H2,1H3
InChIKeyFCVIXXWDSHDJJR-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.75
Rot. Bonds2

About 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione

4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 23558242) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID23558242
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione
SMILESC=c1c(C)c2c(n(-c3ccccc3)c1=O)=NN(c1ccccc1)C2=O
InChIInChI=1S/C20H15N3O2/c1-13-14(2)19(24)22(15-9-5-3-6-10-15)18-17(13)20(25)23(21-18)16-11-7-4-8-12-16/h3-12H,2H2,1H3
InChIKeyFCVIXXWDSHDJJR-UHFFFAOYSA-N
XLogP1.75
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione (CID 23558242) is 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione is C=c1c(C)c2c(n(-c3ccccc3)c1=O)=NN(c1ccccc1)C2=O.
What is the InChIKey of 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is FCVIXXWDSHDJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-14(2)19(24)22(15-9-5-3-6-10-15)18-17(13)20(25)23(21-18)16-11-7-4-8-12-16/h3-12H,2H2,1H3.
What are the key properties of 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione?
4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 329.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 23558242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).