4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

C19H20N4O2 — CID 175782485

IUPAC4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(CC2CNCc3[nH]n(-c4ccccn4)c(=O)c32)cc1
InChIInChI=1S/C19H20N4O2/c1-25-15-7-5-13(6-8-15)10-14-11-20-12-16-18(14)19(24)23(22-16)17-4-2-3-9-21-17/h2-9,14,20,22H,10-12H2,1H3
InChIKeyDYIKSROJAKHXGG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.00
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 175782485) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID175782485
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(CC2CNCc3[nH]n(-c4ccccn4)c(=O)c32)cc1
InChIInChI=1S/C19H20N4O2/c1-25-15-7-5-13(6-8-15)10-14-11-20-12-16-18(14)19(24)23(22-16)17-4-2-3-9-21-17/h2-9,14,20,22H,10-12H2,1H3
InChIKeyDYIKSROJAKHXGG-UHFFFAOYSA-N
XLogP2.00
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-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 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (CID 175782485) is 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is COc1ccc(CC2CNCc3[nH]n(-c4ccccn4)c(=O)c32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is DYIKSROJAKHXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-15-7-5-13(6-8-15)10-14-11-20-12-16-18(14)19(24)23(22-16)17-4-2-3-9-21-17/h2-9,14,20,22H,10-12H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 336.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 175782485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).