4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

C97H114ClF3N18O10 — CID 159162800

About 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 159162800) has the molecular formula C97H114ClF3N18O10 and a molecular weight of 1784.54 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
• PubChem CID: 159162800
• Molecular Formula: C97H114ClF3N18O10
• Molecular Weight: 1784.54 g/mol
• Exact Mass: 1782.86
• IUPAC Name: 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
• SMILES: CN1CCC[C@H]1c1cnc(Cl)c2c1OCCO2.CN1CCC[C@H]1c1cnc2c(c1)OCC2.CN1CCC[C@H]1c1cnc2occ(-c3ccco3)c2c1.CN1CCC[C@H]1c1cnc2occc2c1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnc2ocnc2c1C(F)(F)F.CN1CCC[C@H]1c1cncc2c1NCCN2.COc1ncc([C@@H]2CCCN2C)c2c1OCCN2
• InChI: InChI=1S/C20H18N2O2.C16H16N2O2.C13H19N3O2.C12H15ClN2O2.C12H12F3N3O.C12H18N4.C12H16N2O/c1-22-9-4-6-16(22)15-12-21-20-14(8-10-23-20)19(15)18-11-13-5-2-3-7-17(13)24-18;1-18-6-2-4-14(18)11-8-12-13(15-5-3-7-19-15)10-20-16(12)17-9-11;1-16-6-3-4-10(16)9-8-15-13(17-2)12-11(9)14-5-7-18-12;1-15-4-2-3-9(15)8-7-14-12(13)11-10(8)16-5-6-17-11;1-18-4-2-3-8(18)7-5-16-11-10(17-6-19-11)9(7)12(13,14)15;1-16-6-2-3-11(16)9-7-13-8-10-12(9)15-5-4-14-10;1-14-5-2-3-11(14)9-7-12-10(13-8-9)4-6-15-12/h2-3,5,7-8,10-12,16H,4,6,9H2,1H3;3,5,7-10,14H,2,4,6H2,1H3;8,10,14H,3-7H2,1-2H3;7,9H,2-6H2,1H3;5-6,8H,2-4H2,1H3;7-8,11,14-15H,2-6H2,1H3;7-8,11H,2-6H2,1H3/t16-;14-;10-;9-;8-;2*11-/m0000000/s1
• InChIKey: KKSAWJYCDJSKHB-FWAGDYTASA-N
• XLogP: 19.27
• TPSA: 273.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.54
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?

The IUPAC name of 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 159162800) is 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

What is the SMILES notation for 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?

The canonical SMILES for 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CN1CCC[C@H]1c1cnc(Cl)c2c1OCCO2.CN1CCC[C@H]1c1cnc2c(c1)OCC2.CN1CCC[C@H]1c1cnc2occ(-c3ccco3)c2c1.CN1CCC[C@H]1c1cnc2occc2c1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnc2ocnc2c1C(F)(F)F.CN1CCC[C@H]1c1cncc2c1NCCN2.COc1ncc([C@@H]2CCCN2C)c2c1OCCN2.

What is the InChIKey of 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?

The InChIKey is KKSAWJYCDJSKHB-FWAGDYTASA-N. The full InChI is InChI=1S/C20H18N2O2.C16H16N2O2.C13H19N3O2.C12H15ClN2O2.C12H12F3N3O.C12H18N4.C12H16N2O/c1-22-9-4-6-16(22)15-12-21-20-14(8-10-23-20)19(15)18-11-13-5-2-3-7-17(13)24-18;1-18-6-2-4-14(18)11-8-12-13(15-5-3-7-19-15)10-20-16(12)17-9-11;1-16-6-3-4-10(16)9-8-15-13(17-2)12-11(9)14-5-7-18-12;1-15-4-2-3-9(15)8-7-14-12(13)11-10(8)16-5-6-17-11;1-18-4-2-3-8(18)7-5-16-11-10(17-6-19-11)9(7)12(13,14)15;1-16-6-2-3-11(16)9-7-13-8-10-12(9)15-5-4-14-10;1-14-5-2-3-11(14)9-7-12-10(13-8-9)4-6-15-12/h2-3,5,7-8,10-12,16H,4,6,9H2,1H3;3,5,7-10,14H,2,4,6H2,1H3;8,10,14H,3-7H2,1-2H3;7,9H,2-6H2,1H3;5-6,8H,2-4H2,1H3;7-8,11,14-15H,2-6H2,1H3;7-8,11H,2-6H2,1H3/t16-;14-;10-;9-;8-;2*11-/m0000000/s1.

What are the key properties of 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?

4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 1784.54 g/mol, XLogP of 19.27, 10 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine;6-[(2S)-1-methylpyrrolidin-2-yl]-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 159162800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).