2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine

C24H41ClN4O5Si2 — CID 140941574

About 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine

2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 140941574) has the molecular formula C24H41ClN4O5Si2 and a molecular weight of 557.24 g/mol. Its IUPAC name is 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine
• PubChem CID: 140941574
• Molecular Formula: C24H41ClN4O5Si2
• Molecular Weight: 557.24 g/mol
• Exact Mass: 556.23
• IUPAC Name: 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(Cl)c(N)nc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C24H41ClN4O5Si2/c1-24(2,3)36(7,8)34-18-13-32-19-17(12-31-20(18)19)33-23-27-16-11-15(25)21(26)28-22(16)29(23)14-30-9-10-35(4,5)6/h11,17-20H,9-10,12-14H2,1-8H3,(H2,26,28)/t17-,18-,19-,20-/m1/s1
• InChIKey: LDJXXEBOAYMUQK-UAFMIMERSA-N
• XLogP: 4.91
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.24
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine?

The IUPAC name of 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine (CID 140941574) is 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine.

What is the SMILES notation for 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine?

The canonical SMILES for 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(Cl)c(N)nc2n1COCC[Si](C)(C)C.

What is the InChIKey of 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine?

The InChIKey is LDJXXEBOAYMUQK-UAFMIMERSA-N. The full InChI is InChI=1S/C24H41ClN4O5Si2/c1-24(2,3)36(7,8)34-18-13-32-19-17(12-31-20(18)19)33-23-27-16-11-15(25)21(26)28-22(16)29(23)14-30-9-10-35(4,5)6/h11,17-20H,9-10,12-14H2,1-8H3,(H2,26,28)/t17-,18-,19-,20-/m1/s1.

What are the key properties of 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine?

2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 557.24 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 140941574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).