methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate

C12H11BrN2O2 — CID 167523111

IUPACmethyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(C3CC3)cc(Br)c12
InChIInChI=1S/C12H11BrN2O2/c1-17-12(16)9-5-14-15-6-8(7-2-3-7)4-10(13)11(9)15/h4-7H,2-3H2,1H3
InChIKeyOEBXWPPQPCJLLZ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.76
Rot. Bonds2

About methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate

methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 167523111) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID167523111
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Namemethyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(C3CC3)cc(Br)c12
InChIInChI=1S/C12H11BrN2O2/c1-17-12(16)9-5-14-15-6-8(7-2-3-7)4-10(13)11(9)15/h4-7H,2-3H2,1H3
InChIKeyOEBXWPPQPCJLLZ-UHFFFAOYSA-N
XLogP2.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)boronic acid
CID 146160587
dimethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarboxylate
CID 13411242
methyl 7-cyclopropyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 147232876
methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
methyl 5-bromo-4-cyclopropyl-2-propan-2-yloxybenzoate;methyl 4,5-dicyclopropyl-2-propan-2-yloxybenzoate
CID 161430009
methyl 2-[(3-bromo-1-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate;methyl 5-cyclopropyl-2-[(1-methylindol-5-yl)methyl]pyridine-3-carboxylate
CID 157054014
methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
CID 165131040
methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
CID 168948261
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
methyl 5-bromo-4-cyclopropyl-2-ethoxybenzoate;methyl 4-cyclopropyl-2-ethoxybenzoate
CID 158143145
methyl 5-bromo-2-cyclopropyloxypyridine-4-carboxylate
CID 154595238
methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate
CID 172915603

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 167523111) is methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2cc(C3CC3)cc(Br)c12.
What is the InChIKey of methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is OEBXWPPQPCJLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-12(16)9-5-14-15-6-8(7-2-3-7)4-10(13)11(9)15/h4-7H,2-3H2,1H3.
What are the key properties of methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 295.14 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-6-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 167523111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).