(3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C20H15ClF5N3O5 — CID 144737655

About (3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 144737655) has the molecular formula C20H15ClF5N3O5 and a molecular weight of 507.80 g/mol. Its IUPAC name is (3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
• PubChem CID: 144737655
• Molecular Formula: C20H15ClF5N3O5
• Molecular Weight: 507.80 g/mol
• Exact Mass: 507.06
• IUPAC Name: (3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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(OCc3c(F)cc(C(F)(F)F)cc3F)c(Cl)cc2[nH]1
• InChI: InChI=1S/C20H15ClF5N3O5/c21-9-3-12-17(29-19(27-12)34-14-6-32-15-13(30)5-31-16(14)15)28-18(9)33-4-8-10(22)1-7(2-11(8)23)20(24,25)26/h1-3,13-16,30H,4-6H2,(H,27,28,29)/t13-,14-,15?,16?/m1/s1
• InChIKey: UCTGAGYSFIFGOE-WXLSXGNJSA-N
• XLogP: 3.39
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.80
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 144737655) is (3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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(OCc3c(F)cc(C(F)(F)F)cc3F)c(Cl)cc2[nH]1.

What is the InChIKey of (3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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 UCTGAGYSFIFGOE-WXLSXGNJSA-N. The full InChI is InChI=1S/C20H15ClF5N3O5/c21-9-3-12-17(29-19(27-12)34-14-6-32-15-13(30)5-31-16(14)15)28-18(9)33-4-8-10(22)1-7(2-11(8)23)20(24,25)26/h1-3,13-16,30H,4-6H2,(H,27,28,29)/t13-,14-,15?,16?/m1/s1.

What are the key properties of (3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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 507.80 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-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 144737655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).