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

C37H41BrF3N7O6 — CID 159934247

IUPACethyl 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
SMILESCCOC(=O)c1c(CC)nn2cc(F)c(Br)cc12.CCOC(=O)c1c(CC)nn2cc(F)c(C)cc12.CCOC(=O)c1c(CC)nn2cc(F)c(N)cc12
InChIInChI=1S/C13H15FN2O2.C12H12BrFN2O2.C12H14FN3O2/c1-4-10-12(13(17)18-5-2)11-6-8(3)9(14)7-16(11)15-10;1-3-9-11(12(17)18-4-2)10-5-7(13)8(14)6-16(10)15-9;1-3-9-11(12(17)18-4-2)10-5-8(14)7(13)6-16(10)15-9/h6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4,14H2,1-2H3
InChIKeyOAANMLVZTJWZAQ-UHFFFAOYSA-N
MW816.68 g/mol
LogP7.29
Rot. Bonds9

About 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

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 (PubChem CID 159934247) has the molecular formula C37H41BrF3N7O6 and a molecular weight of 816.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID159934247
Molecular FormulaC37H41BrF3N7O6
Molecular Weight816.68 g/mol
Exact Mass815.23
IUPAC Nameethyl 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
SMILESCCOC(=O)c1c(CC)nn2cc(F)c(Br)cc12.CCOC(=O)c1c(CC)nn2cc(F)c(C)cc12.CCOC(=O)c1c(CC)nn2cc(F)c(N)cc12
InChIInChI=1S/C13H15FN2O2.C12H12BrFN2O2.C12H14FN3O2/c1-4-10-12(13(17)18-5-2)11-6-8(3)9(14)7-16(11)15-10;1-3-9-11(12(17)18-4-2)10-5-7(13)8(14)6-16(10)15-9;1-3-9-11(12(17)18-4-2)10-5-8(14)7(13)6-16(10)15-9/h6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4,14H2,1-2H3
InChIKeyOAANMLVZTJWZAQ-UHFFFAOYSA-N
XLogP7.29
TPSA156.82 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.68
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

ethyl 5-[(2R,4S)-2-(3-amino-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
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ethyl 5-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 89634200
Ethyl 2-(4-bromo-2,5-difluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90286322
Ethyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 123475578
Ethyl 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 146267584
ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
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Methyl 10-bromo-7-[(3-fluoro-4-pyridinyl)-(oxan-4-yl)methyl]-3-methyl-3,4,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-5-carboxylate
CID 156471843
ethyl 5-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 164156122
Ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
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Methyl 4-bromopyrazolo[1,5-a]pyridine-3-carboxylate;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
CID 167674204
Methyl 4-bromopyrazolo[1,5-a]pyridine-3-carboxylate;methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4,4,5,5-tetramethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
CID 167688787

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1c(CC)nn2cc(F)c(Br)cc12.CCOC(=O)c1c(CC)nn2cc(F)c(C)cc12.CCOC(=O)c1c(CC)nn2cc(F)c(N)cc12.
What is the InChIKey of 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?
The InChIKey is OAANMLVZTJWZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2.C12H12BrFN2O2.C12H14FN3O2/c1-4-10-12(13(17)18-5-2)11-6-8(3)9(14)7-16(11)15-10;1-3-9-11(12(17)18-4-2)10-5-7(13)8(14)6-16(10)15-9;1-3-9-11(12(17)18-4-2)10-5-8(14)7(13)6-16(10)15-9/h6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4,14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 816.68 g/mol, XLogP of 7.29, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159934247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).