4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione

C14H15N3O2 — CID 90275116

IUPAC4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione
SMILESCn1[nH]c2c(c1=O)N(Cc1ccccc1)C(=O)CC2
InChIInChI=1S/C14H15N3O2/c1-16-14(19)13-11(15-16)7-8-12(18)17(13)9-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyUWGWYRKWFQWCPE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.19
Rot. Bonds2

About 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione

4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione (PubChem CID 90275116) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione
PubChem CID90275116
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione
SMILESCn1[nH]c2c(c1=O)N(Cc1ccccc1)C(=O)CC2
InChIInChI=1S/C14H15N3O2/c1-16-14(19)13-11(15-16)7-8-12(18)17(13)9-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyUWGWYRKWFQWCPE-UHFFFAOYSA-N
XLogP1.19
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione?
The IUPAC name of 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione (CID 90275116) is 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione?
The canonical SMILES for 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione is Cn1[nH]c2c(c1=O)N(Cc1ccccc1)C(=O)CC2.
What is the InChIKey of 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione?
The InChIKey is UWGWYRKWFQWCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-14(19)13-11(15-16)7-8-12(18)17(13)9-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3.
What are the key properties of 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione?
4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione has a molecular weight of 257.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione is sourced from PubChem (CID 90275116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).