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

C19H20N4O — CID 67373358

IUPAC2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CN(Cc1ccccn1)CC2
InChIInChI=1S/C19H20N4O/c24-19-17-9-11-22(13-16-8-4-5-10-20-16)14-18(17)21-23(19)12-15-6-2-1-3-7-15/h1-8,10,21H,9,11-14H2
InChIKeyOGMYOQWQJYGGIM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.18
Rot. Bonds4

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

2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67373358) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67373358
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CN(Cc1ccccn1)CC2
InChIInChI=1S/C19H20N4O/c24-19-17-9-11-22(13-16-8-4-5-10-20-16)14-18(17)21-23(19)12-15-6-2-1-3-7-15/h1-8,10,21H,9,11-14H2
InChIKeyOGMYOQWQJYGGIM-UHFFFAOYSA-N
XLogP2.18
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232
2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375523
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-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 67376288
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
2-benzyl-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53357548
6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 156806650
6-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67374450
2-(cyclopropylmethyl)-7-(pyridin-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867230
2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53371663
6-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916430

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67373358) is 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=c1c2c([nH]n1Cc1ccccc1)CN(Cc1ccccn1)CC2.
What is the InChIKey of 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is OGMYOQWQJYGGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19-17-9-11-22(13-16-8-4-5-10-20-16)14-18(17)21-23(19)12-15-6-2-1-3-7-15/h1-8,10,21H,9,11-14H2.
What are the key properties of 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 320.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67373358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).