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

C37H44BrN7O6 — CID 159309313

IUPACethyl 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
SMILESCCOC(=O)c1c(CC)nn2ccc(Br)cc12.CCOC(=O)c1c(CC)nn2ccc(C)cc12.CCOC(=O)c1c(CC)nn2ccc(N)cc12
InChIInChI=1S/C13H16N2O2.C12H13BrN2O2.C12H15N3O2/c1-4-10-12(13(16)17-5-2)11-8-9(3)6-7-15(11)14-10;2*1-3-9-11(12(16)17-4-2)10-7-8(13)5-6-15(10)14-9/h6-8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;5-7H,3-4,13H2,1-2H3
InChIKeyLCIGONRFCDALMV-UHFFFAOYSA-N
MW762.71 g/mol
LogP6.87
Rot. Bonds9

About 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 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 (PubChem CID 159309313) has the molecular formula C37H44BrN7O6 and a molecular weight of 762.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID159309313
Molecular FormulaC37H44BrN7O6
Molecular Weight762.71 g/mol
Exact Mass761.25
IUPAC Nameethyl 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
SMILESCCOC(=O)c1c(CC)nn2ccc(Br)cc12.CCOC(=O)c1c(CC)nn2ccc(C)cc12.CCOC(=O)c1c(CC)nn2ccc(N)cc12
InChIInChI=1S/C13H16N2O2.C12H13BrN2O2.C12H15N3O2/c1-4-10-12(13(16)17-5-2)11-8-9(3)6-7-15(11)14-10;2*1-3-9-11(12(16)17-4-2)10-7-8(13)5-6-15(10)14-9/h6-8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;5-7H,3-4,13H2,1-2H3
InChIKeyLCIGONRFCDALMV-UHFFFAOYSA-N
XLogP6.87
TPSA156.82 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.71
LogP ≤ 56.87
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-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 with MolForge

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Related Compounds

Ethyl 2-(3-bromophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658227
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 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-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 153044595
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
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
Ethyl 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-A]pyridine-3-carboxylate
CID 73425259
ethyl 5-(5-methyl-1-phenyl-1H-pyrazole-4-carboxamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797778
Ethyl 5-(2-bromobenzamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
Methyl 2-butyl3-[(4-bromophenyl)methyl]pyrazolo(1,5-a)pyridin6-carboxylate
CID 19032459
Ethyl2-butyl3-(4-bromobenzoyl)pyrazolo(1,5-a) pyridine6-carboxylate
CID 21472338

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1c(CC)nn2ccc(Br)cc12.CCOC(=O)c1c(CC)nn2ccc(C)cc12.CCOC(=O)c1c(CC)nn2ccc(N)cc12.
What is the InChIKey of 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?
The InChIKey is LCIGONRFCDALMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C12H13BrN2O2.C12H15N3O2/c1-4-10-12(13(16)17-5-2)11-8-9(3)6-7-15(11)14-10;2*1-3-9-11(12(16)17-4-2)10-7-8(13)5-6-15(10)14-9/h6-8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;5-7H,3-4,13H2,1-2H3.
What are the key properties of 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 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 has a molecular weight of 762.71 g/mol, XLogP of 6.87, 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-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 is sourced from PubChem (CID 159309313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).