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

C43H50BrN7O6 — CID 160725139

IUPACethyl 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
SMILESCCOC(=O)c1c(C2CC2)nn2cc(C)c(Br)cc12.CCOC(=O)c1c(C2CC2)nn2cc(C)c(C)cc12.CCOC(=O)c1c(C2CC2)nn2cc(C)c(N)cc12
InChIInChI=1S/C15H18N2O2.C14H15BrN2O2.C14H17N3O2/c1-4-19-15(18)13-12-7-9(2)10(3)8-17(12)16-14(13)11-5-6-11;2*1-3-19-14(18)12-11-6-10(15)8(2)7-17(11)16-13(12)9-4-5-9/h7-8,11H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;6-7,9H,3-5,15H2,1-2H3
InChIKeyRTPLPVKOTHNJHR-UHFFFAOYSA-N
MW840.82 g/mol
LogP8.74
Rot. Bonds9

About 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

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 (PubChem CID 160725139) has the molecular formula C43H50BrN7O6 and a molecular weight of 840.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID160725139
Molecular FormulaC43H50BrN7O6
Molecular Weight840.82 g/mol
Exact Mass839.30
IUPAC Nameethyl 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
SMILESCCOC(=O)c1c(C2CC2)nn2cc(C)c(Br)cc12.CCOC(=O)c1c(C2CC2)nn2cc(C)c(C)cc12.CCOC(=O)c1c(C2CC2)nn2cc(C)c(N)cc12
InChIInChI=1S/C15H18N2O2.C14H15BrN2O2.C14H17N3O2/c1-4-19-15(18)13-12-7-9(2)10(3)8-17(12)16-14(13)11-5-6-11;2*1-3-19-14(18)12-11-6-10(15)8(2)7-17(11)16-13(12)9-4-5-9/h7-8,11H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;6-7,9H,3-5,15H2,1-2H3
InChIKeyRTPLPVKOTHNJHR-UHFFFAOYSA-N
XLogP8.74
TPSA156.82 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.82
LogP ≤ 58.74
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-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 with MolForge

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Related Compounds

6-[2-(4-Bromo-3-fluorophenyl)ethyl-sulfinatoamino]-5-cyclopropyl-3-ethoxycarbonyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine
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6-Bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate
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Methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 153392895
Methyl 10-bromo-3-methyl-7-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]-3,4,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-5-carboxylate
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Ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 156829374
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
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-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane
CID 158308405
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CID 158757995
Ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 159034077
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1c(C2CC2)nn2cc(C)c(Br)cc12.CCOC(=O)c1c(C2CC2)nn2cc(C)c(C)cc12.CCOC(=O)c1c(C2CC2)nn2cc(C)c(N)cc12.
What is the InChIKey of 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?
The InChIKey is RTPLPVKOTHNJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.C14H15BrN2O2.C14H17N3O2/c1-4-19-15(18)13-12-7-9(2)10(3)8-17(12)16-14(13)11-5-6-11;2*1-3-19-14(18)12-11-6-10(15)8(2)7-17(11)16-13(12)9-4-5-9/h7-8,11H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;6-7,9H,3-5,15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 840.82 g/mol, XLogP of 8.74, 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-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 is sourced from PubChem (CID 160725139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).