2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C20H20ClN3O — CID 67375523

IUPAC2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C20H20ClN3O/c21-17-8-6-16(7-9-17)12-23-11-10-18-19(14-23)22-24(20(18)25)13-15-4-2-1-3-5-15/h1-9,22H,10-14H2
InChIKeyCJLJFMUDVUVLMG-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.44
Rot. Bonds4

About 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67375523) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67375523
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C20H20ClN3O/c21-17-8-6-16(7-9-17)12-23-11-10-18-19(14-23)22-24(20(18)25)13-15-4-2-1-3-5-15/h1-9,22H,10-14H2
InChIKeyCJLJFMUDVUVLMG-UHFFFAOYSA-N
XLogP3.44
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232
6-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67374450
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373358
6-[(3-chlorophenyl)methyl]-2-(pyridin-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375792
2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide
CID 67356813
2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67371266
2-benzyl-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53357548
6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67372988
6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 77093206
2-(1,3-benzodioxol-5-yl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53373505
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67375523) is 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=c1c2c([nH]n1Cc1ccccc1)CN(Cc1ccc(Cl)cc1)CC2.
What is the InChIKey of 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is CJLJFMUDVUVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-17-8-6-16(7-9-17)12-23-11-10-18-19(14-23)22-24(20(18)25)13-15-4-2-1-3-5-15/h1-9,22H,10-14H2.
What are the key properties of 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 353.85 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67375523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).