2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

C26H26N4O3S — CID 134810250

IUPAC2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(C(=O)c2scnc2C)C3)cc1
InChIInChI=1S/C26H26N4O3S/c1-18-24(34-17-27-18)26(32)28-13-12-22-23(16-28)29(14-20-8-10-21(33-2)11-9-20)30(25(22)31)15-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3
InChIKeyYGSPUZQDGDCMAM-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.72
Rot. Bonds6

About 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810250) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810250
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(C(=O)c2scnc2C)C3)cc1
InChIInChI=1S/C26H26N4O3S/c1-18-24(34-17-27-18)26(32)28-13-12-22-23(16-28)29(14-20-8-10-21(33-2)11-9-20)30(25(22)31)15-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3
InChIKeyYGSPUZQDGDCMAM-UHFFFAOYSA-N
XLogP3.72
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-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 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810250) is 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is COc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(C(=O)c2scnc2C)C3)cc1.
What is the InChIKey of 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is YGSPUZQDGDCMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-18-24(34-17-27-18)26(32)28-13-12-22-23(16-28)29(14-20-8-10-21(33-2)11-9-20)30(25(22)31)15-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 474.59 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(4-methyl-1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).