[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone

C₂₁H₁₅F₃N₄O₃S — CID 46864353

About [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone

[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 46864353) has the molecular formula C₂₁H₁₅F₃N₄O₃S and a molecular weight of 460.44 g/mol. Its IUPAC name is [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
• PubChem CID: 46864353
• Molecular Formula: C₂₁H₁₅F₃N₄O₃S
• Molecular Weight: 460.44 g/mol
• Exact Mass: 460.08
• IUPAC Name: [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1CO)N1CC=C(c2nccs2)C1
• InChI: InChI=1S/C21H15F3N4O3S/c22-21(23,24)15-7-14(13-2-5-31-11-13)9-28-16(10-29)17(26-18(15)28)20(30)27-4-1-12(8-27)19-25-3-6-32-19/h1-3,5-7,9,11,29H,4,8,10H2
• InChIKey: DGBKRYHHBMOBHL-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 83.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.44
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?

The IUPAC name of [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 46864353) is [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.

What is the SMILES notation for [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?

The canonical SMILES for [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1CO)N1CC=C(c2nccs2)C1.

What is the InChIKey of [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?

The InChIKey is DGBKRYHHBMOBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3S/c22-21(23,24)15-7-14(13-2-5-31-11-13)9-28-16(10-29)17(26-18(15)28)20(30)27-4-1-12(8-27)19-25-3-6-32-19/h1-3,5-7,9,11,29H,4,8,10H2.

What are the key properties of [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?

[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 460.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 46864353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46864353 — identifiers, structure, computed properties (public domain)

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