3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide

C23H26ClN5O6 — CID 144737774

About 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide

3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 144737774) has the molecular formula C23H26ClN5O6 and a molecular weight of 503.94 g/mol. Its IUPAC name is 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide
• PubChem CID: 144737774
• Molecular Formula: C23H26ClN5O6
• Molecular Weight: 503.94 g/mol
• Exact Mass: 503.16
• IUPAC Name: 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide
• SMILES: CN(C)CCNC(=O)c1cccc(Oc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)c1
• InChI: InChI=1S/C23H26ClN5O6/c1-29(2)7-6-25-21(31)12-4-3-5-13(8-12)34-22-14(24)9-15-20(27-22)28-23(26-15)35-17-11-33-18-16(30)10-32-19(17)18/h3-5,8-9,16-19,30H,6-7,10-11H2,1-2H3,(H,25,31)(H,26,27,28)/t16-,17-,18-,19-/m1/s1
• InChIKey: XEBIXINJOJBKBN-NCXUSEDFSA-N
• XLogP: 1.60
• TPSA: 131.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.94
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide?

The IUPAC name of 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide (CID 144737774) is 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide.

What is the SMILES notation for 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide?

The canonical SMILES for 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(Oc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)c1.

What is the InChIKey of 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide?

The InChIKey is XEBIXINJOJBKBN-NCXUSEDFSA-N. The full InChI is InChI=1S/C23H26ClN5O6/c1-29(2)7-6-25-21(31)12-4-3-5-13(8-12)34-22-14(24)9-15-20(27-22)28-23(26-15)35-17-11-33-18-16(30)10-32-19(17)18/h3-5,8-9,16-19,30H,6-7,10-11H2,1-2H3,(H,25,31)(H,26,27,28)/t16-,17-,18-,19-/m1/s1.

What are the key properties of 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide?

3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 503.94 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 144737774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).