5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate

C36H37Br3F3N7O6 — CID 157202278

IUPAC5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nn2cc(F)c(Br)cc12.CCc1nn2cc(F)c(Br)cc2c1C(=O)O.CCc1nn2cc(F)c(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H17BrFN3O2.C12H12BrFN2O2.C10H8BrFN2O2/c1-5-10-12(17-13(20)21-14(2,3)4)11-6-8(15)9(16)7-19(11)18-10;1-3-9-11(12(17)18-4-2)10-5-7(13)8(14)6-16(10)15-9;1-2-7-9(10(15)16)8-3-5(11)6(12)4-14(8)13-7/h6-7H,5H2,1-4H3,(H,17,20);5-6H,3-4H2,1-2H3;3-4H,2H2,1H3,(H,15,16)
InChIKeyAQXYSFQXLUDVJO-UHFFFAOYSA-N
MW960.44 g/mol
LogP9.62
Rot. Bonds7

About 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate

5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 157202278) has the molecular formula C36H37Br3F3N7O6 and a molecular weight of 960.44 g/mol. Its IUPAC name is 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID157202278
Molecular FormulaC36H37Br3F3N7O6
Molecular Weight960.44 g/mol
Exact Mass957.03
IUPAC Name5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nn2cc(F)c(Br)cc12.CCc1nn2cc(F)c(Br)cc2c1C(=O)O.CCc1nn2cc(F)c(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H17BrFN3O2.C12H12BrFN2O2.C10H8BrFN2O2/c1-5-10-12(17-13(20)21-14(2,3)4)11-6-8(15)9(16)7-19(11)18-10;1-3-9-11(12(17)18-4-2)10-5-7(13)8(14)6-16(10)15-9;1-2-7-9(10(15)16)8-3-5(11)6(12)4-14(8)13-7/h6-7H,5H2,1-4H3,(H,17,20);5-6H,3-4H2,1-2H3;3-4H,2H2,1H3,(H,15,16)
InChIKeyAQXYSFQXLUDVJO-UHFFFAOYSA-N
XLogP9.62
TPSA153.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500960.44
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

6-Bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate
CID 71283274
3-Bromo-6-fluoropyrazolo[1,5-a]pyridine;ethyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate;6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;6-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 157729956
3-Bromopyrazolo[1,5-a]pyridine;ethyl prop-2-ynoate;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridine-3-carboxylic acid;pyridin-1-ium-1-amine;iodide
CID 157890494
Ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 159309313
benzyl (3S,4S)-3-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-4-methylpyrrolidine-1-carboxylate;6-bromo-4-[[(3S,4S)-4-methylpyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 159456035
5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 159807036
5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine
CID 159847219
Ethyl 2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanol
CID 159867281
Ethyl 5-amino-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-fluoro-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 159934247
benzyl (3S,4S)-3-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-4-methylpyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-4-methylpyrrolidine-1-carboxylate
CID 160066077
6-Bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 160548220
Ethyl 5-amino-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 160725139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate (CID 157202278) is 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(CC)nn2cc(F)c(Br)cc12.CCc1nn2cc(F)c(Br)cc2c1C(=O)O.CCc1nn2cc(F)c(Br)cc2c1NC(=O)OC(C)(C)C.
What is the InChIKey of 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is AQXYSFQXLUDVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O2.C12H12BrFN2O2.C10H8BrFN2O2/c1-5-10-12(17-13(20)21-14(2,3)4)11-6-8(15)9(16)7-19(11)18-10;1-3-9-11(12(17)18-4-2)10-5-7(13)8(14)6-16(10)15-9;1-2-7-9(10(15)16)8-3-5(11)6(12)4-14(8)13-7/h6-7H,5H2,1-4H3,(H,17,20);5-6H,3-4H2,1-2H3;3-4H,2H2,1H3,(H,15,16).
What are the key properties of 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate?
5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 960.44 g/mol, XLogP of 9.62, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 157202278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).