6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C21H21N3O2 — CID 134809255

IUPAC6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2)C3)c1
InChIInChI=1S/C21H21N3O2/c1-26-14-16-8-5-9-17(10-16)21-18-11-20(25)24(13-19(18)22-23-21)12-15-6-3-2-4-7-15/h2-10H,11-14H2,1H3,(H,22,23)
InChIKeyLUNNUBOONYHERJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.31
Rot. Bonds5

About 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134809255) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134809255
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2)C3)c1
InChIInChI=1S/C21H21N3O2/c1-26-14-16-8-5-9-17(10-16)21-18-11-20(25)24(13-19(18)22-23-21)12-15-6-3-2-4-7-15/h2-10H,11-14H2,1H3,(H,22,23)
InChIKeyLUNNUBOONYHERJ-UHFFFAOYSA-N
XLogP3.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134809255) is 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCc1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2)C3)c1.
What is the InChIKey of 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is LUNNUBOONYHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-14-16-8-5-9-17(10-16)21-18-11-20(25)24(13-19(18)22-23-21)12-15-6-3-2-4-7-15/h2-10H,11-14H2,1H3,(H,22,23).
What are the key properties of 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 347.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134809255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).