6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C25H23ClFN3O4S — CID 138462370

About 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 138462370) has the molecular formula C25H23ClFN3O4S and a molecular weight of 515.99 g/mol. Its IUPAC name is 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-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: 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
• PubChem CID: 138462370
• Molecular Formula: C25H23ClFN3O4S
• Molecular Weight: 515.99 g/mol
• Exact Mass: 515.11
• IUPAC Name: 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
• SMILES: CSc1ccc(-c2ccc(-c3nc4c(cc3Cl)NC(OC3COC5C(O)COC35)N4)cc2)c(F)c1
• InChI: InChI=1S/C25H23ClFN3O4S/c1-35-14-6-7-15(17(27)8-14)12-2-4-13(5-3-12)21-16(26)9-18-24(29-21)30-25(28-18)34-20-11-33-22-19(31)10-32-23(20)22/h2-9,19-20,22-23,25,28,31H,10-11H2,1H3,(H,29,30)
• InChIKey: FCMBEOSCROOAQG-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 84.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.99
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-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 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 138462370) is 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-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 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-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 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is CSc1ccc(-c2ccc(-c3nc4c(cc3Cl)NC(OC3COC5C(O)COC35)N4)cc2)c(F)c1.

What is the InChIKey of 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-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 FCMBEOSCROOAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O4S/c1-35-14-6-7-15(17(27)8-14)12-2-4-13(5-3-12)21-16(26)9-18-24(29-21)30-25(28-18)34-20-11-33-22-19(31)10-32-23(20)22/h2-9,19-20,22-23,25,28,31H,10-11H2,1H3,(H,29,30).

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

6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-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 515.99 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-chloro-5-[4-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2,3-dihydro-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 138462370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).