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

C15H15N3O3 — CID 135632598

IUPACmethyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
SMILESCOC(=O)c1ccc(C2CC(=O)Nc3c2cnn3C)cc1
InChIInChI=1S/C15H15N3O3/c1-18-14-12(8-16-18)11(7-13(19)17-14)9-3-5-10(6-4-9)15(20)21-2/h3-6,8,11H,7H2,1-2H3,(H,17,19)
InChIKeyAITMSXXETOARLV-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.68
Rot. Bonds2

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

methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate (PubChem CID 135632598) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
PubChem CID135632598
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
SMILESCOC(=O)c1ccc(C2CC(=O)Nc3c2cnn3C)cc1
InChIInChI=1S/C15H15N3O3/c1-18-14-12(8-16-18)11(7-13(19)17-14)9-3-5-10(6-4-9)15(20)21-2/h3-6,8,11H,7H2,1-2H3,(H,17,19)
InChIKeyAITMSXXETOARLV-UHFFFAOYSA-N
XLogP1.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate 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
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
4-(4-Methoxyphenyl)-1-methyl-4H,5H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135632934
Allopurinol,N-(4-(4-methylpiperizinylmethyl)benz
CID 135789958
4-(1-tert-butyl-6-hydroxy-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid
CID 135632895
methyl 4-(1-cyclopentyl-7-hydroxy-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate
CID 135635323
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
Methyl 4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]benzoate
CID 2445450
Ethyl 5-(4-methylbenzamido)-1-[2-(4-methylbenzoyloxy)ethyl]-1H-pyrazole-4-carboxylate
CID 6622727
methyl 4-[(4-{5-[(phenylacetyl)amino]-1H-pyrazol-1-yl}-1-piperidinyl)methyl]benzoate
CID 25284156
Methyl 4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-4-YL}benzoate
CID 136080433

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate?
The IUPAC name of methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate (CID 135632598) is methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate.
What is the SMILES notation for methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate?
The canonical SMILES for methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate is COC(=O)c1ccc(C2CC(=O)Nc3c2cnn3C)cc1.
What is the InChIKey of methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate?
The InChIKey is AITMSXXETOARLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18-14-12(8-16-18)11(7-13(19)17-14)9-3-5-10(6-4-9)15(20)21-2/h3-6,8,11H,7H2,1-2H3,(H,17,19).
What are the key properties of methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate?
methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate has a molecular weight of 285.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate is sourced from PubChem (CID 135632598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).