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

C24H18F3N3O2S — CID 59443886

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

[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone (PubChem CID 59443886) has the molecular formula C24H18F3N3O2S and a molecular weight of 469.49 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)cyclopent-3-en-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)cyclopent-3-en-1-yl]methanone
• PubChem CID: 59443886
• Molecular Formula: C24H18F3N3O2S
• Molecular Weight: 469.49 g/mol
• Exact Mass: 469.11
• IUPAC Name: [3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1)C1CC=C(c2nccs2)C1
• InChI: InChI=1S/C24H18F3N3O2S/c25-24(26,27)18-10-17(16-5-7-32-12-16)11-30-20(13-1-2-13)19(29-22(18)30)21(31)14-3-4-15(9-14)23-28-6-8-33-23/h4-8,10-14H,1-3,9H2
• InChIKey: ULGRVHWISNCLKS-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 60.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	6.62
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)cyclopent-3-en-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)cyclopent-3-en-1-yl]methanone (CID 59443886) is [3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-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)cyclopent-3-en-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)cyclopent-3-en-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1)C1CC=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)cyclopent-3-en-1-yl]methanone?

The InChIKey is ULGRVHWISNCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S/c25-24(26,27)18-10-17(16-5-7-32-12-16)11-30-20(13-1-2-13)19(29-22(18)30)21(31)14-3-4-15(9-14)23-28-6-8-33-23/h4-8,10-14H,1-3,9H2.

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)cyclopent-3-en-1-yl]methanone?

[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone has a molecular weight of 469.49 g/mol, XLogP of 6.62, 5 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)cyclopent-3-en-1-yl]methanone is sourced from PubChem (CID 59443886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).