5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

C17H19N3O2 — CID 6463277

IUPAC5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCCCCc1c(C)[nH]c2[nH]n(-c3ccccc3)c(=O)c2c1=O
InChIInChI=1S/C17H19N3O2/c1-3-4-10-13-11(2)18-16-14(15(13)21)17(22)20(19-16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H2,18,19,21)
InChIKeySWEHFOSAYDUXIU-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.66
Rot. Bonds4

About 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 6463277) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID6463277
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCCCCc1c(C)[nH]c2[nH]n(-c3ccccc3)c(=O)c2c1=O
InChIInChI=1S/C17H19N3O2/c1-3-4-10-13-11(2)18-16-14(15(13)21)17(22)20(19-16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H2,18,19,21)
InChIKeySWEHFOSAYDUXIU-UHFFFAOYSA-N
XLogP2.66
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 6463277) is 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is CCCCc1c(C)[nH]c2[nH]n(-c3ccccc3)c(=O)c2c1=O.
What is the InChIKey of 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is SWEHFOSAYDUXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-4-10-13-11(2)18-16-14(15(13)21)17(22)20(19-16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H2,18,19,21).
What are the key properties of 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 297.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 6463277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).