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

C13H13N3O2 — CID 135632675

IUPAC4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)CC2c1ccc(O)cc1
InChIInChI=1S/C13H13N3O2/c1-16-13-11(7-14-16)10(6-12(18)15-13)8-2-4-9(17)5-3-8/h2-5,7,10,17H,6H2,1H3,(H,15,18)
InChIKeyXDBWFEXDSGMXPY-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.60
Rot. Bonds1

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

4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632675) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632675
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)CC2c1ccc(O)cc1
InChIInChI=1S/C13H13N3O2/c1-16-13-11(7-14-16)10(6-12(18)15-13)8-2-4-9(17)5-3-8/h2-5,7,10,17H,6H2,1H3,(H,15,18)
InChIKeyXDBWFEXDSGMXPY-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[1-(3-hydroxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24819279
4-(4-Methoxyphenyl)-1-methyl-4H,5H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135632934
4-(2-isopropoxyphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632220
1-(tert-butyl)-4-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632243
4-(4-hydroxy-3-methoxyphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632474
2-[4-(1-tert-butyl-6-hydroxy-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135632807
4-(1-tert-butyl-6-hydroxy-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid
CID 135632895
1-(tert-butyl)-4-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135633075
4-(4-hydroxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136142074
1-cyclopentyl-4-(4-methoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136159145
(4S)-1-benzyl-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136012183
(4R)-4-(3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136012289

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632675) is 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1ncc2c1NC(=O)CC2c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XDBWFEXDSGMXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-13-11(7-14-16)10(6-12(18)15-13)8-2-4-9(17)5-3-8/h2-5,7,10,17H,6H2,1H3,(H,15,18).
What are the key properties of 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 243.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).