[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone

C106H114F24N24O7S8 — CID 159121211

IUPAC[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone
SMILESCN1CCCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.CN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(O)(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3cccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(CN3CCC(O)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H15F6N3O2S.C16H19F3N4OS.2C15H17F3N4OS.C15H19F3N4S.C15H18F3N3OS.C14H9F3N2OS2/c1-24-12(15(17,18)19)8-9(23-24)10-2-3-11(28-10)13(26)25-6-4-14(27,5-7-25)16(20,21)22;1-21-6-3-7-23(9-8-21)15(24)13-5-4-12(25-13)11-10-14(16(17,18)19)22(2)20-11;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(19)8-22;1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21;1-19-12(14(15,16)17)7-8(18-19)9-4-5-11(22-9)13(20)10-3-2-6-21-10/h2-3,8,27H,4-7H2,1H3;4-5,10H,3,6-9H2,1-2H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,10,22H,4-7,9H2,1H3;2-7H,1H3/t;;2*9-;;;/m..10.../s1
InChIKeyKFSHCGXCLYENID-RDZNFYRBSA-N
MW2548.73 g/mol
LogP22.60
Rot. Bonds17

About [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone

[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone (PubChem CID 159121211) has the molecular formula C106H114F24N24O7S8 and a molecular weight of 2548.73 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone
PubChem CID159121211
Molecular FormulaC106H114F24N24O7S8
Molecular Weight2548.73 g/mol
Exact Mass2546.67
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone
SMILESCN1CCCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.CN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(O)(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3cccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(CN3CCC(O)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H15F6N3O2S.C16H19F3N4OS.2C15H17F3N4OS.C15H19F3N4S.C15H18F3N3OS.C14H9F3N2OS2/c1-24-12(15(17,18)19)8-9(23-24)10-2-3-11(28-10)13(26)25-6-4-14(27,5-7-25)16(20,21)22;1-21-6-3-7-23(9-8-21)15(24)13-5-4-12(25-13)11-10-14(16(17,18)19)22(2)20-11;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(19)8-22;1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21;1-19-12(14(15,16)17)7-8(18-19)9-4-5-11(22-9)13(20)10-3-2-6-21-10/h2-3,8,27H,4-7H2,1H3;4-5,10H,3,6-9H2,1-2H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,10,22H,4-7,9H2,1H3;2-7H,1H3/t;;2*9-;;;/m..10.../s1
InChIKeyKFSHCGXCLYENID-RDZNFYRBSA-N
XLogP22.60
TPSA328.51 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002548.73
LogP ≤ 522.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

aziridin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
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azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955900
(4-hydroxypiperidin-1-yl)-[5-[1-prop-1-en-2-yl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 162559924
cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;4-fluoro-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-4-prop-2-enyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;piperidin-1-yl-[5-[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 157419083
N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820
(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955847
(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
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CID 143534142
1-azabicyclo[2.2.2]octan-3-ylmethyl 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylate
CID 70827537
N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine
CID 67089233
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride
CID 22288389
(3-aminopiperidin-1-yl)-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]methanone;hydrochloride
CID 119381036

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone (CID 159121211) is [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone is CN1CCCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.CN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(O)(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3cccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(CN3CCC(O)CC3)s2)cc1C(F)(F)F.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone?
The InChIKey is KFSHCGXCLYENID-RDZNFYRBSA-N. The full InChI is InChI=1S/C16H15F6N3O2S.C16H19F3N4OS.2C15H17F3N4OS.C15H19F3N4S.C15H18F3N3OS.C14H9F3N2OS2/c1-24-12(15(17,18)19)8-9(23-24)10-2-3-11(28-10)13(26)25-6-4-14(27,5-7-25)16(20,21)22;1-21-6-3-7-23(9-8-21)15(24)13-5-4-12(25-13)11-10-14(16(17,18)19)22(2)20-11;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(19)8-22;1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21;1-19-12(14(15,16)17)7-8(18-19)9-4-5-11(22-9)13(20)10-3-2-6-21-10/h2-3,8,27H,4-7H2,1H3;4-5,10H,3,6-9H2,1-2H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,10,22H,4-7,9H2,1H3;2-7H,1H3/t;;2*9-;;;/m..10.../s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone?
[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone has a molecular weight of 2548.73 g/mol, XLogP of 22.60, 17 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 159121211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).