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

C36H40Br3N7O6 — CID 159807036

IUPAC5-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
SMILESCCOC(=O)c1c(CC)nn2ccc(Br)cc12.CCc1nn2ccc(Br)cc2c1C(=O)O.CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H18BrN3O2.C12H13BrN2O2.C10H9BrN2O2/c1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10;1-3-9-11(12(16)17-4-2)10-7-8(13)5-6-15(10)14-9;1-2-7-9(10(14)15)8-5-6(11)3-4-13(8)12-7/h6-8H,5H2,1-4H3,(H,16,19);5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,14,15)
InChIKeyNKNLCOMYFAGECZ-UHFFFAOYSA-N
MW906.47 g/mol
LogP9.20
Rot. Bonds7

About 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

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 (PubChem CID 159807036) has the molecular formula C36H40Br3N7O6 and a molecular weight of 906.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159807036
Molecular FormulaC36H40Br3N7O6
Molecular Weight906.47 g/mol
Exact Mass903.06
IUPAC Name5-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
SMILESCCOC(=O)c1c(CC)nn2ccc(Br)cc12.CCc1nn2ccc(Br)cc2c1C(=O)O.CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H18BrN3O2.C12H13BrN2O2.C10H9BrN2O2/c1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10;1-3-9-11(12(16)17-4-2)10-7-8(13)5-6-15(10)14-9;1-2-7-9(10(14)15)8-5-6(11)3-4-13(8)12-7/h6-8H,5H2,1-4H3,(H,16,19);5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,14,15)
InChIKeyNKNLCOMYFAGECZ-UHFFFAOYSA-N
XLogP9.20
TPSA153.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.47
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 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
Methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 153392895
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
benzyl (3S,4S)-3-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-4-ethylpyrrolidine-1-carboxylate;benzyl (3S,4S)-3-[[3-carbamoyl-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]amino]-4-ethylpyrrolidine-1-carboxylate
CID 157219605
Carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium
CID 157367591
6,7-Dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 157574922
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
1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate
CID 158149855
Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158757995
Sodium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(6-methyl-2-pyridinyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate;[2-(6-methyl-2-pyridinyl)phenyl]boronic acid;5-[2-(6-methyl-2-pyridinyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(6-methyl-2-pyridinyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide
CID 158929968
Ethyl but-2-ynoate;ethyl 2-methylpyrazolo[1,5-a]pyridine-3-carboxylate;2-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid;pyridin-1-ium-1-amine;iodide
CID 159005045

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1c(CC)nn2ccc(Br)cc12.CCc1nn2ccc(Br)cc2c1C(=O)O.CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is NKNLCOMYFAGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2.C12H13BrN2O2.C10H9BrN2O2/c1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10;1-3-9-11(12(16)17-4-2)10-7-8(13)5-6-15(10)14-9;1-2-7-9(10(14)15)8-5-6(11)3-4-13(8)12-7/h6-8H,5H2,1-4H3,(H,16,19);5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,14,15).
What are the key properties of 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?
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 has a molecular weight of 906.47 g/mol, XLogP of 9.20, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159807036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).