methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C16H17N3O3 — CID 121240186

IUPACmethyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CC2CC3C=CC2C3)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H17N3O3/c1-22-16(21)13-8-19(7-12-14(13)17-18-15(12)20)6-11-5-9-2-3-10(11)4-9/h2-3,7-11H,4-6H2,1H3,(H,18,20)
InChIKeyYHXLFRUBEXDYMC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.67
Rot. Bonds3

About methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121240186) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121240186
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namemethyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CC2CC3C=CC2C3)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H17N3O3/c1-22-16(21)13-8-19(7-12-14(13)17-18-15(12)20)6-11-5-9-2-3-10(11)4-9/h2-3,7-11H,4-6H2,1H3,(H,18,20)
InChIKeyYHXLFRUBEXDYMC-UHFFFAOYSA-N
XLogP1.67
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878924
methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124876542
methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205409
methyl 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240322
methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239609
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
methyl 5-[4-(azepan-1-yl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204105
methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123429
methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204995
methyl 5-[2-(benzenesulfonyl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240786
methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240464
methyl 5-(4-hydroxybutanoylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432517

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121240186) is methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CC2CC3C=CC2C3)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is YHXLFRUBEXDYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-16(21)13-8-19(7-12-14(13)17-18-15(12)20)6-11-5-9-2-3-10(11)4-9/h2-3,7-11H,4-6H2,1H3,(H,18,20).
What are the key properties of methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121240186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).