ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate

C40H50BrN7O6 — CID 162165291

IUPACethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nn2cc(C)c(Br)cc12.CCOC(=O)c1c(CC)nn2cc(C)c(C)cc12.CCOC(=O)c1c(CC)nn2cc(C)c(N)cc12
InChIInChI=1S/C14H18N2O2.C13H15BrN2O2.C13H17N3O2/c1-5-11-13(14(17)18-6-2)12-7-9(3)10(4)8-16(12)15-11;2*1-4-10-12(13(17)18-5-2)11-6-9(14)8(3)7-16(11)15-10/h7-8H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;6-7H,4-5,14H2,1-3H3
InChIKeyZNATVNHPGDISAX-UHFFFAOYSA-N
MW804.79 g/mol
LogP7.80
Rot. Bonds9

About ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 162165291) has the molecular formula C40H50BrN7O6 and a molecular weight of 804.79 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID162165291
Molecular FormulaC40H50BrN7O6
Molecular Weight804.79 g/mol
Exact Mass803.30
IUPAC Nameethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nn2cc(C)c(Br)cc12.CCOC(=O)c1c(CC)nn2cc(C)c(C)cc12.CCOC(=O)c1c(CC)nn2cc(C)c(N)cc12
InChIInChI=1S/C14H18N2O2.C13H15BrN2O2.C13H17N3O2/c1-5-11-13(14(17)18-6-2)12-7-9(3)10(4)8-16(12)15-11;2*1-4-10-12(13(17)18-5-2)11-6-9(14)8(3)7-16(11)15-10/h7-8H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;6-7H,4-5,14H2,1-3H3
InChIKeyZNATVNHPGDISAX-UHFFFAOYSA-N
XLogP7.80
TPSA156.82 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500804.79
LogP ≤ 57.80
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-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 153044595
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-(2-bromobenzamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
Methyl 2-butyl3-[(4-bromophenyl)methyl]pyrazolo(1,5-a)pyridin6-carboxylate
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Ethyl2-butyl3-(4-bromobenzoyl)pyrazolo(1,5-a) pyridine6-carboxylate
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Butan-2-yl 3-(4-bromobenzoyl)pyrazolo[1,5-a]pyridine-6-carboxylate
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Hexan-3-yl 3-(4-bromobenzoyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 53814540
Butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate
CID 54535131
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CID 68802294
3-{4-(5-Bromo-3-pyridinyl)-7-ethyl-2-[(3-pyridinylmethoxy)methyl]pyrrolo[1,2-b]pyridazin-3-yl}propanoic acid
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CID 68803003

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 162165291) is ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(CC)nn2cc(C)c(Br)cc12.CCOC(=O)c1c(CC)nn2cc(C)c(C)cc12.CCOC(=O)c1c(CC)nn2cc(C)c(N)cc12.
What is the InChIKey of ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is ZNATVNHPGDISAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C13H15BrN2O2.C13H17N3O2/c1-5-11-13(14(17)18-6-2)12-7-9(3)10(4)8-16(12)15-11;2*1-4-10-12(13(17)18-5-2)11-6-9(14)8(3)7-16(11)15-10/h7-8H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;6-7H,4-5,14H2,1-3H3.
What are the key properties of ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-amino-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 804.79 g/mol, XLogP of 7.80, 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-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 162165291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).