4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid

C17H19N3O3 — CID 135632895

IUPAC4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid
SMILESCC(C)(C)n1ncc2c1NC(=O)CC2c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H19N3O3/c1-17(2,3)20-15-13(9-18-20)12(8-14(21)19-15)10-4-6-11(7-5-10)16(22)23/h4-7,9,12H,8H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyGPKPGDCSLMWSHK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.81
Rot. Bonds2

About 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid

4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid (PubChem CID 135632895) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid
PubChem CID135632895
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid
SMILESCC(C)(C)n1ncc2c1NC(=O)CC2c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H19N3O3/c1-17(2,3)20-15-13(9-18-20)12(8-14(21)19-15)10-4-6-11(7-5-10)16(22)23/h4-7,9,12H,8H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyGPKPGDCSLMWSHK-UHFFFAOYSA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid with MolForge

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Related Compounds

ethyl 4-[3-[(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentan-3-yl]benzoate
CID 136059337
4-[3-[[(5R)-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pentan-3-yl]benzoic acid
CID 136071531
methyl 4-(1-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoate
CID 135632598
1-(tert-butyl)-4-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632243
4-(4-hydroxyphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632675
1-(tert-butyl)-4-phenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632843
ethyl 4-[3-[(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentan-3-yl]benzoate;hydrochloride
CID 136141552
4-(3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid
CID 136171269
4-[[5-[(3R)-3-aminopiperidin-1-yl]-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzoic acid
CID 145978529
4-{3-Methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-4-YL}benzoic acid
CID 136142087
4-[(4R)-3-methyl-1-(4-methylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 136773552
4-[1-(4-fluorophenyl)-6-hydroxy-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
CID 135652759

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid?
The IUPAC name of 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid (CID 135632895) is 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid.
What is the SMILES notation for 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid?
The canonical SMILES for 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid is CC(C)(C)n1ncc2c1NC(=O)CC2c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid?
The InChIKey is GPKPGDCSLMWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(2,3)20-15-13(9-18-20)12(8-14(21)19-15)10-4-6-11(7-5-10)16(22)23/h4-7,9,12H,8H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid?
4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoic acid is sourced from PubChem (CID 135632895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).