(4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone

C106H96F26N22O8S8+2 — CID 158884607

IUPAC(4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone
SMILESCC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.CCC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)Nc3nccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)[n+]3ccc(C(F)(F)F)cc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)[n+]3cccc(F)c3)s2)cc1C(F)(F)F
InChIInChI=1S/C17H20F3N3OS.C16H10F6N3OS.C16H18F3N3OS.C15H10F4N3OS.C15H16F3N3O2S.C14H13F4N3OS.C13H9F3N4OS2/c1-3-11-6-8-23(9-7-11)16(24)14-5-4-13(25-14)12-10-15(17(18,19)20)22(2)21-12;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-10-5-7-22(8-6-10)15(23)13-4-3-12(24-13)11-9-14(16(17,18)19)21(2)20-11;1-21-13(15(17,18)19)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(16)8-22;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(22)8-21;1-20-12(14(16,17)18)6-9(19-20)10-2-3-11(23-10)13(22)21-5-4-8(15)7-21;1-20-10(13(14,15)16)6-7(19-20)8-2-3-9(23-8)11(21)18-12-17-4-5-22-12/h4-5,10-11H,3,6-9H2,1-2H3;2-8H,1H3;3-4,9-10H,5-8H2,1-2H3;2-8H,1H3;4-5,7,9,22H,2-3,6,8H2,1H3;2-3,6,8H,4-5,7H2,1H3;2-6H,1H3,(H,17,18,21)/q;+1;;+1;;;/t;;;;;8-;/m.....1./s1
InChIKeyHIKSWTQJIUOGDQ-ZIUCWOJRSA-N
MW2556.56 g/mol
LogP25.91
Rot. Bonds16

About (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone

(4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone (PubChem CID 158884607) has the molecular formula C106H96F26N22O8S8+2 and a molecular weight of 2556.56 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone
PubChem CID158884607
Molecular FormulaC106H96F26N22O8S8+2
Molecular Weight2556.56 g/mol
Exact Mass2554.51
IUPAC Name(4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone
SMILESCC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.CCC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)Nc3nccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)[n+]3ccc(C(F)(F)F)cc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)[n+]3cccc(F)c3)s2)cc1C(F)(F)F
InChIInChI=1S/C17H20F3N3OS.C16H10F6N3OS.C16H18F3N3OS.C15H10F4N3OS.C15H16F3N3O2S.C14H13F4N3OS.C13H9F3N4OS2/c1-3-11-6-8-23(9-7-11)16(24)14-5-4-13(25-14)12-10-15(17(18,19)20)22(2)21-12;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-10-5-7-22(8-6-10)15(23)13-4-3-12(24-13)11-9-14(16(17,18)19)21(2)20-11;1-21-13(15(17,18)19)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(16)8-22;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(22)8-21;1-20-12(14(16,17)18)6-9(19-20)10-2-3-11(23-10)13(22)21-5-4-8(15)7-21;1-20-10(13(14,15)16)6-7(19-20)8-2-3-9(23-8)11(21)18-12-17-4-5-22-12/h4-5,10-11H,3,6-9H2,1-2H3;2-8H,1H3;3-4,9-10H,5-8H2,1-2H3;2-8H,1H3;4-5,7,9,22H,2-3,6,8H2,1H3;2-3,6,8H,4-5,7H2,1H3;2-6H,1H3,(H,17,18,21)/q;+1;;+1;;;/t;;;;;8-;/m.....1./s1
InChIKeyHIKSWTQJIUOGDQ-ZIUCWOJRSA-N
XLogP25.91
TPSA310.10 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002556.56
LogP ≤ 525.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone with MolForge

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Related Compounds

Azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 157861995
azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
CID 158311874
(3-Hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 158327839
Azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 159973043
(4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 160924508
2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[3-methyl-5-(pyridine-3-carbonyl)thiophen-2-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,4-difluoro-N-[5-(5-propan-2-yl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-propan-2-yl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide
CID 159387873
N-[5-[2-(6-amino-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide;2,6-difluoro-N-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide;2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[5-methyl-2-(2-pyridin-3-ylethyl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide;N-[5-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]-3-fluoro-2-methylbenzamide
CID 161017810
2-[5-[2-(6-amino-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;2,6-difluoro-N-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[5-methyl-2-(2-pyridin-3-ylethyl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide;2-[5-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(2-fluoro-6-methylphenyl)-2-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone
CID 161864473

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone (CID 158884607) is (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone is CC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.CCC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)Nc3nccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)[n+]3ccc(C(F)(F)F)cc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)[n+]3cccc(F)c3)s2)cc1C(F)(F)F.
What is the InChIKey of (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone?
The InChIKey is HIKSWTQJIUOGDQ-ZIUCWOJRSA-N. The full InChI is InChI=1S/C17H20F3N3OS.C16H10F6N3OS.C16H18F3N3OS.C15H10F4N3OS.C15H16F3N3O2S.C14H13F4N3OS.C13H9F3N4OS2/c1-3-11-6-8-23(9-7-11)16(24)14-5-4-13(25-14)12-10-15(17(18,19)20)22(2)21-12;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-10-5-7-22(8-6-10)15(23)13-4-3-12(24-13)11-9-14(16(17,18)19)21(2)20-11;1-21-13(15(17,18)19)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(16)8-22;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(22)8-21;1-20-12(14(16,17)18)6-9(19-20)10-2-3-11(23-10)13(22)21-5-4-8(15)7-21;1-20-10(13(14,15)16)6-7(19-20)8-2-3-9(23-8)11(21)18-12-17-4-5-22-12/h4-5,10-11H,3,6-9H2,1-2H3;2-8H,1H3;3-4,9-10H,5-8H2,1-2H3;2-8H,1H3;4-5,7,9,22H,2-3,6,8H2,1H3;2-3,6,8H,4-5,7H2,1H3;2-6H,1H3,(H,17,18,21)/q;+1;;+1;;;/t;;;;;8-;/m.....1./s1.
What are the key properties of (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone?
(4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone has a molecular weight of 2556.56 g/mol, XLogP of 25.91, 16 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropyridin-1-ium-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)pyridin-1-ium-1-yl]methanone is sourced from PubChem (CID 158884607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).