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

C19H20N4O — CID 53371663

IUPAC2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=C1C2CCN(Cc3ccccn3)CC2=NN1Cc1ccccc1
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/h1-8,10,17H,9,11-14H2
InChIKeyYGDIJSARWUQHRR-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.30
Rot. Bonds4

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

2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 53371663) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID53371663
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=C1C2CCN(Cc3ccccn3)CC2=NN1Cc1ccccc1
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/h1-8,10,17H,9,11-14H2
InChIKeyYGDIJSARWUQHRR-UHFFFAOYSA-N
XLogP2.30
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

3-[(2-benzyl-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methyl]benzonitrile
CID 53373509
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 22988014
1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 19423594
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373358
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
CID 59694740
CID 59694740
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 53371663) is 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=C1C2CCN(Cc3ccccn3)CC2=NN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is YGDIJSARWUQHRR-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/h1-8,10,17H,9,11-14H2.
What are the key properties of 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 320.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 53371663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).