ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate

C34H34BBrN4O8 — CID 165028562

IUPACethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(-c2ccn3ncc(B4OC(C)(C)C(C)(C)O4)c3c2)c1.CCOC(=O)c1coc(-c2ccn3ncc(Br)c3c2)c1
InChIInChI=1S/C20H23BN2O5.C14H11BrN2O3/c1-6-25-18(24)14-10-17(26-12-14)13-7-8-23-16(9-13)15(11-22-23)21-27-19(2,3)20(4,5)28-21;1-2-19-14(18)10-6-13(20-8-10)9-3-4-17-12(5-9)11(15)7-16-17/h7-12H,6H2,1-5H3;3-8H,2H2,1H3
InChIKeyMGWQVQYMEVQCGD-UHFFFAOYSA-N
MW717.38 g/mol
LogP6.60
Rot. Bonds7

About ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate

ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (PubChem CID 165028562) has the molecular formula C34H34BBrN4O8 and a molecular weight of 717.38 g/mol. Its IUPAC name is ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
PubChem CID165028562
Molecular FormulaC34H34BBrN4O8
Molecular Weight717.38 g/mol
Exact Mass716.17
IUPAC Nameethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(-c2ccn3ncc(B4OC(C)(C)C(C)(C)O4)c3c2)c1.CCOC(=O)c1coc(-c2ccn3ncc(Br)c3c2)c1
InChIInChI=1S/C20H23BN2O5.C14H11BrN2O3/c1-6-25-18(24)14-10-17(26-12-14)13-7-8-23-16(9-13)15(11-22-23)21-27-19(2,3)20(4,5)28-21;1-2-19-14(18)10-6-13(20-8-10)9-3-4-17-12(5-9)11(15)7-16-17/h7-12H,6H2,1-5H3;3-8H,2H2,1H3
InChIKeyMGWQVQYMEVQCGD-UHFFFAOYSA-N
XLogP6.60
TPSA131.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.38
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The IUPAC name of ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (CID 165028562) is ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The canonical SMILES for ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is CCOC(=O)c1coc(-c2ccn3ncc(B4OC(C)(C)C(C)(C)O4)c3c2)c1.CCOC(=O)c1coc(-c2ccn3ncc(Br)c3c2)c1.
What is the InChIKey of ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The InChIKey is MGWQVQYMEVQCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BN2O5.C14H11BrN2O3/c1-6-25-18(24)14-10-17(26-12-14)13-7-8-23-16(9-13)15(11-22-23)21-27-19(2,3)20(4,5)28-21;1-2-19-14(18)10-6-13(20-8-10)9-3-4-17-12(5-9)11(15)7-16-17/h7-12H,6H2,1-5H3;3-8H,2H2,1H3.
What are the key properties of ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate has a molecular weight of 717.38 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is sourced from PubChem (CID 165028562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).