(5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione

C16H15N3O2 — CID 71081204

IUPAC(5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione
SMILESC/C=c1\c(C)c2c(n(C)c1=O)=NN(c1ccccc1)C2=O
InChIInChI=1S/C16H15N3O2/c1-4-12-10(2)13-14(18(3)15(12)20)17-19(16(13)21)11-8-6-5-7-9-11/h4-9H,1-3H3/b12-4+
InChIKeyAPXSPZYDGVIUKR-UUILKARUSA-N
MW281.31 g/mol
LogP0.69
Rot. Bonds1

About (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione

(5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 71081204) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID71081204
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione
SMILESC/C=c1\c(C)c2c(n(C)c1=O)=NN(c1ccccc1)C2=O
InChIInChI=1S/C16H15N3O2/c1-4-12-10(2)13-14(18(3)15(12)20)17-19(16(13)21)11-8-6-5-7-9-11/h4-9H,1-3H3/b12-4+
InChIKeyAPXSPZYDGVIUKR-UUILKARUSA-N
XLogP0.69
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione (CID 71081204) is (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione is C/C=c1\c(C)c2c(n(C)c1=O)=NN(c1ccccc1)C2=O.
What is the InChIKey of (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is APXSPZYDGVIUKR-UUILKARUSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-4-12-10(2)13-14(18(3)15(12)20)17-19(16(13)21)11-8-6-5-7-9-11/h4-9H,1-3H3/b12-4+.
What are the key properties of (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione?
(5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 281.31 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 71081204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).