(3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine

C73H86Cl4F6N10O12Si2 — CID 161419538

About (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine

(3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine (PubChem CID 161419538) has the molecular formula C73H86Cl4F6N10O12Si2 and a molecular weight of 1607.52 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine.

Molecular Properties

• Compound Name: (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine
• PubChem CID: 161419538
• Molecular Formula: C73H86Cl4F6N10O12Si2
• Molecular Weight: 1607.52 g/mol
• Exact Mass: 1604.46
• IUPAC Name: (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine
• SMILES: Cn1c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O[Si](C)(C)C(C)(C)C)nc2cc(Cl)c(CCc3c(F)cccc3F)nc21.Cn1c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O[Si](C)(C)C(C)(C)C)nc2cc(Cl)c(Cl)nc21.NCc1c(F)cccc1F.O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(CCc3c(F)cccc3F)c(Cl)cc2[nH]1
• InChI: InChI=1S/C27H34ClF2N3O4Si.C20H18ClF2N3O4.C19H27Cl2N3O4Si.C7H7F2N/c1-27(2,3)38(5,6)37-22-14-35-23-21(13-34-24(22)23)36-26-32-20-12-16(28)19(31-25(20)33(26)4)11-10-15-17(29)8-7-9-18(15)30;21-10-6-14-19(24-13(10)5-4-9-11(22)2-1-3-12(9)23)26-20(25-14)30-16-8-29-17-15(27)7-28-18(16)17;1-19(2,3)29(5,6)28-13-9-26-14-12(8-25-15(13)14)27-18-22-11-7-10(20)16(21)23-17(11)24(18)4;8-6-2-1-3-7(9)5(6)4-10/h7-9,12,21-24H,10-11,13-14H2,1-6H3;1-3,6,15-18,27H,4-5,7-8H2,(H,24,25,26);7,12-15H,8-9H2,1-6H3;1-3H,4,10H2/t21-,22-,23-,24-;15-,16-,17-,18-;12-,13-,14-,15-;/m111./s1
• InChIKey: VWNTVTIMPTUEAU-DASJIAENSA-N
• XLogP: 13.84
• TPSA: 250.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1607.52
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine?

The IUPAC name of (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine (CID 161419538) is (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine.

What is the SMILES notation for (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine?

The canonical SMILES for (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine is Cn1c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O[Si](C)(C)C(C)(C)C)nc2cc(Cl)c(CCc3c(F)cccc3F)nc21.Cn1c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O[Si](C)(C)C(C)(C)C)nc2cc(Cl)c(Cl)nc21.NCc1c(F)cccc1F.O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(CCc3c(F)cccc3F)c(Cl)cc2[nH]1.

What is the InChIKey of (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine?

The InChIKey is VWNTVTIMPTUEAU-DASJIAENSA-N. The full InChI is InChI=1S/C27H34ClF2N3O4Si.C20H18ClF2N3O4.C19H27Cl2N3O4Si.C7H7F2N/c1-27(2,3)38(5,6)37-22-14-35-23-21(13-34-24(22)23)36-26-32-20-12-16(28)19(31-25(20)33(26)4)11-10-15-17(29)8-7-9-18(15)30;21-10-6-14-19(24-13(10)5-4-9-11(22)2-1-3-12(9)23)26-20(25-14)30-16-8-29-17-15(27)7-28-18(16)17;1-19(2,3)29(5,6)28-13-9-26-14-12(8-25-15(13)14)27-18-22-11-7-10(20)16(21)23-17(11)24(18)4;8-6-2-1-3-7(9)5(6)4-10/h7-9,12,21-24H,10-11,13-14H2,1-6H3;1-3,6,15-18,27H,4-5,7-8H2,(H,24,25,26);7,12-15H,8-9H2,1-6H3;1-3H,4,10H2/t21-,22-,23-,24-;15-,16-,17-,18-;12-,13-,14-,15-;/m111./s1.

What are the key properties of (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine?

(3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine has a molecular weight of 1607.52 g/mol, XLogP of 13.84, 17 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3aR,6R,6aR)-6-[[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6R,6aS)-3-[6-chloro-5-[2-(2,6-difluorophenyl)ethyl]-3-methylimidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;[(3R,3aR,6R,6aS)-3-(5,6-dichloro-3-methylimidazo[4,5-b]pyridin-2-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;(2,6-difluorophenyl)methanamine is sourced from PubChem (CID 161419538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).