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

C20H19N3O2 — CID 134810342

IUPAC6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(CN2Cc3[nH]nc(-c4ccccc4)c3CC2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-25-16-9-7-14(8-10-16)12-23-13-18-17(11-19(23)24)20(22-21-18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,22)
InChIKeyGEQRJIPTIRZJJF-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.17
Rot. Bonds4

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

6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810342) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810342
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(CN2Cc3[nH]nc(-c4ccccc4)c3CC2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-25-16-9-7-14(8-10-16)12-23-13-18-17(11-19(23)24)20(22-21-18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,22)
InChIKeyGEQRJIPTIRZJJF-UHFFFAOYSA-N
XLogP3.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-3-(furan-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810302
3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 69363384
3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810242
3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134805160
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 26352505
1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine
CID 21478839
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid
CID 102301423
7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one
CID 163223098
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856063

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810342) is 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COc1ccc(CN2Cc3[nH]nc(-c4ccccc4)c3CC2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is GEQRJIPTIRZJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-16-9-7-14(8-10-16)12-23-13-18-17(11-19(23)24)20(22-21-18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,22).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 333.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).