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

C14H15N3O3 — CID 135632474

IUPAC4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3c2cnn3C)ccc1O
InChIInChI=1S/C14H15N3O3/c1-17-14-10(7-15-17)9(6-13(19)16-14)8-3-4-11(18)12(5-8)20-2/h3-5,7,9,18H,6H2,1-2H3,(H,16,19)
InChIKeyCWXLMXPIYATOBJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.61
Rot. Bonds2

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

4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632474) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632474
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3c2cnn3C)ccc1O
InChIInChI=1S/C14H15N3O3/c1-17-14-10(7-15-17)9(6-13(19)16-14)8-3-4-11(18)12(5-8)20-2/h3-5,7,9,18H,6H2,1-2H3,(H,16,19)
InChIKeyCWXLMXPIYATOBJ-UHFFFAOYSA-N
XLogP1.61
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632474) is 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cc(C2CC(=O)Nc3c2cnn3C)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CWXLMXPIYATOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17-14-10(7-15-17)9(6-13(19)16-14)8-3-4-11(18)12(5-8)20-2/h3-5,7,9,18H,6H2,1-2H3,(H,16,19).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 273.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).