methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate

C16H17N3O3 — CID 135636833

IUPACmethyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
SMILESCOC(=O)c1ccc(C2CC(=O)Nc3c2c(C)nn3C)cc1
InChIInChI=1S/C16H17N3O3/c1-9-14-12(8-13(20)17-15(14)19(2)18-9)10-4-6-11(7-5-10)16(21)22-3/h4-7,12H,8H2,1-3H3,(H,17,20)
InChIKeyUUWWHLLRHWEZIQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.99
Rot. Bonds2

About methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate

methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate (PubChem CID 135636833) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
PubChem CID135636833
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namemethyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
SMILESCOC(=O)c1ccc(C2CC(=O)Nc3c2c(C)nn3C)cc1
InChIInChI=1S/C16H17N3O3/c1-9-14-12(8-13(20)17-15(14)19(2)18-9)10-4-6-11(7-5-10)16(21)22-3/h4-7,12H,8H2,1-3H3,(H,17,20)
InChIKeyUUWWHLLRHWEZIQ-UHFFFAOYSA-N
XLogP1.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate with MolForge

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Related Compounds

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-[(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)methyl]benzoate
CID 16027154
Methyl 4-[[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]methyl]benzoate
CID 16027185
Methyl 4-[1-(4,6-dimethylpyrimidin-2-YL)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-4-YL]benzoate
CID 135546810
2-[5-[(4-Fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
CID 2320426
methyl 4-({[1-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrazol-3-yl]amino}carbonyl)benzoate
CID 6458805
Methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 24790678
methyl 4-[(4-{5-[(cyclopropylcarbonyl)amino]-1H-pyrazol-1-yl}-1-piperidinyl)methyl]benzoate
CID 24817369
methyl 4-(1-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoate
CID 135632598
Ethyl 4-[4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)benzamido]benzoate
CID 16022734
ethyl 2-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)amino]benzoate
CID 16024360
4-(1-tert-butyl-6-hydroxy-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid
CID 135632895

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate?
The IUPAC name of methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate (CID 135636833) is methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate.
What is the SMILES notation for methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate?
The canonical SMILES for methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate is COC(=O)c1ccc(C2CC(=O)Nc3c2c(C)nn3C)cc1.
What is the InChIKey of methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate?
The InChIKey is UUWWHLLRHWEZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-14-12(8-13(20)17-15(14)19(2)18-9)10-4-6-11(7-5-10)16(21)22-3/h4-7,12H,8H2,1-3H3,(H,17,20).
What are the key properties of methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate?
methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate has a molecular weight of 299.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate is sourced from PubChem (CID 135636833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).