(3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C24H24ClF3N4O6 — CID 145389939

About (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 145389939) has the molecular formula C24H24ClF3N4O6 and a molecular weight of 556.93 g/mol. Its IUPAC name is (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

• Compound Name: (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
• PubChem CID: 145389939
• Molecular Formula: C24H24ClF3N4O6
• Molecular Weight: 556.93 g/mol
• Exact Mass: 556.13
• IUPAC Name: (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
• SMILES: O[C@@H]1COC2C1OC[C@H]2Oc1nc2nc(NC3CCc4cc(OCCOC(F)F)cc(F)c43)c(Cl)cc2[nH]1
• InChI: InChI=1S/C24H24ClF3N4O6/c25-12-7-15-22(32-24(30-15)38-17-9-37-19-16(33)8-36-20(17)19)31-21(12)29-14-2-1-10-5-11(6-13(26)18(10)14)34-3-4-35-23(27)28/h5-7,14,16-17,19-20,23,33H,1-4,8-9H2,(H2,29,30,31,32)/t14?,16-,17-,19?,20?/m1/s1
• InChIKey: WTZNZFVRPJKTLS-FXHOKRPUSA-N
• XLogP: 3.37
• TPSA: 119.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.93
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?

The IUPAC name of (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 145389939) is (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

What is the SMILES notation for (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?

The canonical SMILES for (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is O[C@@H]1COC2C1OC[C@H]2Oc1nc2nc(NC3CCc4cc(OCCOC(F)F)cc(F)c43)c(Cl)cc2[nH]1.

What is the InChIKey of (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?

The InChIKey is WTZNZFVRPJKTLS-FXHOKRPUSA-N. The full InChI is InChI=1S/C24H24ClF3N4O6/c25-12-7-15-22(32-24(30-15)38-17-9-37-19-16(33)8-36-20(17)19)31-21(12)29-14-2-1-10-5-11(6-13(26)18(10)14)34-3-4-35-23(27)28/h5-7,14,16-17,19-20,23,33H,1-4,8-9H2,(H2,29,30,31,32)/t14?,16-,17-,19?,20?/m1/s1.

What are the key properties of (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?

(3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 556.93 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6R)-6-[[6-chloro-5-[[5-[2-(difluoromethoxy)ethoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 145389939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).