1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H19N3O2 — CID 135632243

IUPAC1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)n1ncc2c1NC(=O)CC2c1cccc(O)c1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)19-15-13(9-17-19)12(8-14(21)18-15)10-5-4-6-11(20)7-10/h4-7,9,12,20H,8H2,1-3H3,(H,18,21)
InChIKeyNZSFWFSHXLFXTJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.82
Rot. Bonds1

About 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632243) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632243
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)n1ncc2c1NC(=O)CC2c1cccc(O)c1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)19-15-13(9-17-19)12(8-14(21)18-15)10-5-4-6-11(20)7-10/h4-7,9,12,20H,8H2,1-3H3,(H,18,21)
InChIKeyNZSFWFSHXLFXTJ-UHFFFAOYSA-N
XLogP2.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632243) is 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC(C)(C)n1ncc2c1NC(=O)CC2c1cccc(O)c1.
What is the InChIKey of 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NZSFWFSHXLFXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)19-15-13(9-17-19)12(8-14(21)18-15)10-5-4-6-11(20)7-10/h4-7,9,12,20H,8H2,1-3H3,(H,18,21).
What are the key properties of 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 285.35 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).