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

C₂₃H₁₇F₃N₄O₂S — CID 46864811

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

[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 46864811) has the molecular formula C₂₃H₁₇F₃N₄O₂S and a molecular weight of 470.48 g/mol. Its IUPAC name is [3-cyclopropyl-6-(furan-3-yl)-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: [3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
• PubChem CID: 46864811
• Molecular Formula: C₂₃H₁₇F₃N₄O₂S
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.10
• IUPAC Name: [3-cyclopropyl-6-(furan-3-yl)-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)cn2c1C1CC1)N1CC=C(c2nccs2)C1
• InChI: InChI=1S/C23H17F3N4O2S/c24-23(25,26)17-9-16(15-4-7-32-12-15)11-30-19(13-1-2-13)18(28-20(17)30)22(31)29-6-3-14(10-29)21-27-5-8-33-21/h3-5,7-9,11-13H,1-2,6,10H2
• InChIKey: RYLUDCQNOPUORV-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 63.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-6-(furan-3-yl)-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 [3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 46864811) is [3-cyclopropyl-6-(furan-3-yl)-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 [3-cyclopropyl-6-(furan-3-yl)-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 [3-cyclopropyl-6-(furan-3-yl)-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)cn2c1C1CC1)N1CC=C(c2nccs2)C1.

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

The InChIKey is RYLUDCQNOPUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2S/c24-23(25,26)17-9-16(15-4-7-32-12-15)11-30-19(13-1-2-13)18(28-20(17)30)22(31)29-6-3-14(10-29)21-27-5-8-33-21/h3-5,7-9,11-13H,1-2,6,10H2.

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

[3-cyclopropyl-6-(furan-3-yl)-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 470.48 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-cyclopropyl-6-(furan-3-yl)-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 46864811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46864811 — identifiers, structure, computed properties (public domain)

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