3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane

C₄₈H₄₁F₆N₇O₅S₂ — CID 160738021

About 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane

3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane (PubChem CID 160738021) has the molecular formula C₄₈H₄₁F₆N₇O₅S₂ and a molecular weight of 974.02 g/mol. Its IUPAC name is 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane.

Molecular Properties

• Compound Name: 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane
• PubChem CID: 160738021
• Molecular Formula: C₄₈H₄₁F₆N₇O₅S₂
• Molecular Weight: 974.02 g/mol
• Exact Mass: 973.25
• IUPAC Name: 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane
• SMILES: C.C1=C(c2nccs2)CNC1.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1)C1CC=C(c2nccs2)C1
• InChI: InChI=1S/C24H18F3N3O2S.C16H11F3N2O3.C7H8N2S.CH4/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;17-16(18,19)11-5-10(9-3-4-24-7-9)6-21-13(8-1-2-8)12(15(22)23)20-14(11)21;1-2-8-5-6(1)7-9-3-4-10-7;/h4-8,10-14H,1-3,9H2;3-8H,1-2H2,(H,22,23);1,3-4,8H,2,5H2;1H4
• InChIKey: RVEZGBGBKIITAN-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 153.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.02
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?

The IUPAC name of 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane (CID 160738021) is 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane.

What is the SMILES notation for 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?

The canonical SMILES for 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane is C.C1=C(c2nccs2)CNC1.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1.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]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?

The InChIKey is RVEZGBGBKIITAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S.C16H11F3N2O3.C7H8N2S.CH4/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;17-16(18,19)11-5-10(9-3-4-24-7-9)6-21-13(8-1-2-8)12(15(22)23)20-14(11)21;1-2-8-5-6(1)7-9-3-4-10-7;/h4-8,10-14H,1-3,9H2;3-8H,1-2H2,(H,22,23);1,3-4,8H,2,5H2;1H4.

What are the key properties of 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?

3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane has a molecular weight of 974.02 g/mol, XLogP of 12.58, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[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;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane is sourced from PubChem (CID 160738021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160738021 — identifiers, structure, computed properties (public domain)

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