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

C20H19N3O3 — CID 134806197

IUPAC3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(CN2Cc3[nH]nc(-c4cccc(O)c4)c3CC2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-26-16-7-5-13(6-8-16)11-23-12-18-17(10-19(23)25)20(22-21-18)14-3-2-4-15(24)9-14/h2-9,24H,10-12H2,1H3,(H,21,22)
InChIKeyYUKCJHAEGYNAIN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.88
Rot. Bonds4

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

3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134806197) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134806197
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(CN2Cc3[nH]nc(-c4cccc(O)c4)c3CC2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-26-16-7-5-13(6-8-16)11-23-12-18-17(10-19(23)25)20(22-21-18)14-3-2-4-15(24)9-14/h2-9,24H,10-12H2,1H3,(H,21,22)
InChIKeyYUKCJHAEGYNAIN-UHFFFAOYSA-N
XLogP2.88
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 2031826
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 89777800
N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 117761549
5-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 117762724
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
5-(2-hydroxyphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 666046
3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 4860002
(4-methoxyphenyl)(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 8031310
(3,4-dimethoxyphenyl)[1-(4,5,6,7-tetrahydro-2H-indazol-3-ylcarbonyl)piperidin-3-yl]methanone
CID 16187857
(4-fluorophenyl)[3-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 17582182
(3,4-dimethoxyphenyl)[3-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 17584794
5-(2-hydroxy-5-methylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 1953150

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134806197) is 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COc1ccc(CN2Cc3[nH]nc(-c4cccc(O)c4)c3CC2=O)cc1.
What is the InChIKey of 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is YUKCJHAEGYNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-16-7-5-13(6-8-16)11-23-12-18-17(10-19(23)25)20(22-21-18)14-3-2-4-15(24)9-14/h2-9,24H,10-12H2,1H3,(H,21,22).
What are the key properties of 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 349.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134806197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).