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

C19H15ClF3N3O5 — CID 144737752

About (3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 144737752) has the molecular formula C19H15ClF3N3O5 and a molecular weight of 457.79 g/mol. Its IUPAC name is (3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
• PubChem CID: 144737752
• Molecular Formula: C19H15ClF3N3O5
• Molecular Weight: 457.79 g/mol
• Exact Mass: 457.07
• IUPAC Name: (3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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]1COC2[C@H](Oc3nc4nc(Oc5cccc(C(F)(F)F)c5)c(Cl)cc4[nH]3)CO[C@@H]21
• InChI: InChI=1S/C19H15ClF3N3O5/c20-10-5-11-16(25-17(10)30-9-3-1-2-8(4-9)19(21,22)23)26-18(24-11)31-13-7-29-14-12(27)6-28-15(13)14/h1-5,12-15,27H,6-7H2,(H,24,25,26)/t12-,13-,14-,15?/m1/s1
• InChIKey: JDGKFNLHJRCORM-CBNXCZCTSA-N
• XLogP: 3.33
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.79
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 144737752) is (3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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]1COC2[C@H](Oc3nc4nc(Oc5cccc(C(F)(F)F)c5)c(Cl)cc4[nH]3)CO[C@@H]21.

What is the InChIKey of (3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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 JDGKFNLHJRCORM-CBNXCZCTSA-N. The full InChI is InChI=1S/C19H15ClF3N3O5/c20-10-5-11-16(25-17(10)30-9-3-1-2-8(4-9)19(21,22)23)26-18(24-11)31-13-7-29-14-12(27)6-28-15(13)14/h1-5,12-15,27H,6-7H2,(H,24,25,26)/t12-,13-,14-,15?/m1/s1.

What are the key properties of (3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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 457.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-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 144737752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).