N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide

C21H21ClN4O6 — CID 144737724

About N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide

N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide (PubChem CID 144737724) has the molecular formula C21H21ClN4O6 and a molecular weight of 460.87 g/mol. Its IUPAC name is N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide
• PubChem CID: 144737724
• Molecular Formula: C21H21ClN4O6
• Molecular Weight: 460.87 g/mol
• Exact Mass: 460.11
• IUPAC Name: N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide
• SMILES: CC(=O)NCc1cccc(Oc2nc3nc(O[C@@H]4CO[C@H]5C4OC[C@H]5O)[nH]c3cc2Cl)c1
• InChI: InChI=1S/C21H21ClN4O6/c1-10(27)23-7-11-3-2-4-12(5-11)31-20-13(22)6-14-19(25-20)26-21(24-14)32-16-9-30-17-15(28)8-29-18(16)17/h2-6,15-18,28H,7-9H2,1H3,(H,23,27)(H,24,25,26)/t15-,16-,17-,18?/m1/s1
• InChIKey: ZSTUYDIMZPBBBQ-NGHJQRJNSA-N
• XLogP: 1.95
• TPSA: 127.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.87
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide?

The IUPAC name of N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide (CID 144737724) is N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide.

What is the SMILES notation for N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide?

The canonical SMILES for N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide is CC(=O)NCc1cccc(Oc2nc3nc(O[C@@H]4CO[C@H]5C4OC[C@H]5O)[nH]c3cc2Cl)c1.

What is the InChIKey of N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide?

The InChIKey is ZSTUYDIMZPBBBQ-NGHJQRJNSA-N. The full InChI is InChI=1S/C21H21ClN4O6/c1-10(27)23-7-11-3-2-4-12(5-11)31-20-13(22)6-14-19(25-20)26-21(24-14)32-16-9-30-17-15(28)8-29-18(16)17/h2-6,15-18,28H,7-9H2,1H3,(H,23,27)(H,24,25,26)/t15-,16-,17-,18?/m1/s1.

What are the key properties of N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide?

N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide has a molecular weight of 460.87 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[2-[[(3R,3aR,6R)-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]phenyl]methyl]acetamide is sourced from PubChem (CID 144737724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).