[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol

C₂₀H₁₈N₈O₂S — CID 156855139

About [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol (PubChem CID 156855139) has the molecular formula C₂₀H₁₈N₈O₂S and a molecular weight of 434.49 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol.

Molecular Properties

• Compound Name: [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
• PubChem CID: 156855139
• Molecular Formula: C₂₀H₁₈N₈O₂S
• Molecular Weight: 434.49 g/mol
• Exact Mass: 434.13
• IUPAC Name: [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
• SMILES: CCn1c(C(O)(c2ccccc2)c2nccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21
• InChI: InChI=1S/C20H18N8O2S/c1-3-28-14-11-13(15-24-26-27-25-15)17(30-2)22-16(14)23-18(28)20(29,19-21-9-10-31-19)12-7-5-4-6-8-12/h4-11,29H,3H2,1-2H3,(H,24,25,26,27)
• InChIKey: NTXZYDIPVAVKCS-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 127.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.49
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?

The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol (CID 156855139) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol.

What is the SMILES notation for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?

The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol is CCn1c(C(O)(c2ccccc2)c2nccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21.

What is the InChIKey of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?

The InChIKey is NTXZYDIPVAVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2S/c1-3-28-14-11-13(15-24-26-27-25-15)17(30-2)22-16(14)23-18(28)20(29,19-21-9-10-31-19)12-7-5-4-6-8-12/h4-11,29H,3H2,1-2H3,(H,24,25,26,27).

What are the key properties of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol has a molecular weight of 434.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 156855139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156855139 — identifiers, structure, computed properties (public domain)

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