cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C58H46BClF9N7O10S — CID 158686945

About cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 158686945) has the molecular formula C58H46BClF9N7O10S and a molecular weight of 1250.36 g/mol. Its IUPAC name is cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
• PubChem CID: 158686945
• Molecular Formula: C58H46BClF9N7O10S
• Molecular Weight: 1250.36 g/mol
• Exact Mass: 1249.27
• IUPAC Name: cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
• SMILES: COC(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1.COC(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1)N1CC=C(c2cccs2)C1.OB(O)C1CC1
• InChI: InChI=1S/C24H18F3N3O2S.C17H13F3N2O3.C14H8ClF3N2O3.C3H7BO2/c25-24(26,27)18-10-17(16-6-8-32-13-16)12-30-21(14-3-4-14)20(28-22(18)30)23(31)29-7-5-15(11-29)19-2-1-9-33-19;1-24-16(23)13-14(9-2-3-9)22-7-11(10-4-5-25-8-10)6-12(15(22)21-13)17(18,19)20;1-22-13(21)10-11(15)20-5-8(7-2-3-23-6-7)4-9(12(20)19-10)14(16,17)18;5-4(6)3-1-2-3/h1-2,5-6,8-10,12-14H,3-4,7,11H2;4-9H,2-3H2,1H3;2-6H,1H3;3,5-6H,1-2H2
• InChIKey: IFWAZJYSEWGSGY-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 204.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.36
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?

The IUPAC name of cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 158686945) is cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

What is the SMILES notation for cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?

The canonical SMILES for cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1.COC(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1)N1CC=C(c2cccs2)C1.OB(O)C1CC1.

What is the InChIKey of cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?

The InChIKey is IFWAZJYSEWGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S.C17H13F3N2O3.C14H8ClF3N2O3.C3H7BO2/c25-24(26,27)18-10-17(16-6-8-32-13-16)12-30-21(14-3-4-14)20(28-22(18)30)23(31)29-7-5-15(11-29)19-2-1-9-33-19;1-24-16(23)13-14(9-2-3-9)22-7-11(10-4-5-25-8-10)6-12(15(22)21-13)17(18,19)20;1-22-13(21)10-11(15)20-5-8(7-2-3-23-6-7)4-9(12(20)19-10)14(16,17)18;5-4(6)3-1-2-3/h1-2,5-6,8-10,12-14H,3-4,7,11H2;4-9H,2-3H2,1H3;2-6H,1H3;3,5-6H,1-2H2.

What are the key properties of cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?

cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 1250.36 g/mol, XLogP of 14.04, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylboronic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-yl-2,5-dihydropyrrol-1-yl)methanone;methyl 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 158686945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).