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

C29H30N4O3 — CID 134810351

IUPAC2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(C(=O)CCc2cccnc2)C3)cc1
InChIInChI=1S/C29H30N4O3/c1-36-25-12-9-24(10-13-25)19-32-27-21-31(28(34)14-11-22-8-5-16-30-18-22)17-15-26(27)29(35)33(32)20-23-6-3-2-4-7-23/h2-10,12-13,16,18H,11,14-15,17,19-21H2,1H3
InChIKeyVVFFVJWTKJPAAF-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.67
Rot. Bonds8

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

2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810351) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810351
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(C(=O)CCc2cccnc2)C3)cc1
InChIInChI=1S/C29H30N4O3/c1-36-25-12-9-24(10-13-25)19-32-27-21-31(28(34)14-11-22-8-5-16-30-18-22)17-15-26(27)29(35)33(32)20-23-6-3-2-4-7-23/h2-10,12-13,16,18H,11,14-15,17,19-21H2,1H3
InChIKeyVVFFVJWTKJPAAF-UHFFFAOYSA-N
XLogP3.67
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810566
1-benzyl-6-(3-hydroxybenzoyl)-2-(4-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810113
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
6-(3-hydroxybenzoyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810235
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
3-[[(2S)-2-(4-methoxyphenyl)-2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetyl]amino]propanoic acid
CID 175081327
1-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155990905
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 55490748

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810351) is 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is COc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(C(=O)CCc2cccnc2)C3)cc1.
What is the InChIKey of 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is VVFFVJWTKJPAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-36-25-12-9-24(10-13-25)19-32-27-21-31(28(34)14-11-22-8-5-16-30-18-22)17-15-26(27)29(35)33(32)20-23-6-3-2-4-7-23/h2-10,12-13,16,18H,11,14-15,17,19-21H2,1H3.
What are the key properties of 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 482.58 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).