4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C130H135F18N19OS4-6 — CID 158349808

IUPAC4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCCCCCCCCCCc1sccc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1c(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)ccn1CC.CCCCCCc1c(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)sc2sccc12.CCCCCCc1cc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)c(CCCCCC)s1.CCCCCCc1occc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1cc2ccccc2c(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1
InChIInChI=1S/C25H31F3N3S.C23H27F3N3S.C21H24F3N4.C21H19F3N3S2.C21H15F3N3.C19H19F3N3O/c1-3-5-7-9-11-19-16-20(23(32-19)12-10-8-6-4-2)18-13-14-29-21(15-18)22-17-24(31-30-22)25(26,27)28;1-2-3-4-5-6-7-8-9-10-21-18(12-14-30-21)17-11-13-27-19(15-17)20-16-22(29-28-20)23(24,25)26;1-3-5-6-7-8-19-16(10-12-28(19)4-2)15-9-11-25-17(13-15)18-14-20(27-26-18)21(22,23)24;1-2-3-4-5-6-14-15-8-10-28-20(15)29-19(14)13-7-9-25-16(11-13)17-12-18(27-26-17)21(22,23)24;1-12-9-14-5-3-4-6-16(14)13(2)20(12)15-7-8-25-17(10-15)18-11-19(27-26-18)21(22,23)24;1-2-3-4-5-6-17-14(8-10-26-17)13-7-9-23-15(11-13)16-12-18(25-24-16)19(20,21)22/h13-17H,3-12H2,1-2H3;11-16H,2-10H2,1H3;9-14H,3-8H2,1-2H3;7-12H,2-6H2,1H3;3-11H,1-2H3;7-12H,2-6H2,1H3/q6*-1
InChIKeyGSEDYHFRGSYGBB-UHFFFAOYSA-N
MW2449.87 g/mol
LogP39.60
Rot. Bonds47

About 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158349808) has the molecular formula C130H135F18N19OS4-6 and a molecular weight of 2449.87 g/mol. Its IUPAC name is 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158349808
Molecular FormulaC130H135F18N19OS4-6
Molecular Weight2449.87 g/mol
Exact Mass2447.97
IUPAC Name4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCCCCCCCCCCc1sccc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1c(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)ccn1CC.CCCCCCc1c(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)sc2sccc12.CCCCCCc1cc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)c(CCCCCC)s1.CCCCCCc1occc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1cc2ccccc2c(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1
InChIInChI=1S/C25H31F3N3S.C23H27F3N3S.C21H24F3N4.C21H19F3N3S2.C21H15F3N3.C19H19F3N3O/c1-3-5-7-9-11-19-16-20(23(32-19)12-10-8-6-4-2)18-13-14-29-21(15-18)22-17-24(31-30-22)25(26,27)28;1-2-3-4-5-6-7-8-9-10-21-18(12-14-30-21)17-11-13-27-19(15-17)20-16-22(29-28-20)23(24,25)26;1-3-5-6-7-8-19-16(10-12-28(19)4-2)15-9-11-25-17(13-15)18-14-20(27-26-18)21(22,23)24;1-2-3-4-5-6-14-15-8-10-28-20(15)29-19(14)13-7-9-25-16(11-13)17-12-18(27-26-17)21(22,23)24;1-12-9-14-5-3-4-6-16(14)13(2)20(12)15-7-8-25-17(10-15)18-11-19(27-26-18)21(22,23)24;1-2-3-4-5-6-17-14(8-10-26-17)13-7-9-23-15(11-13)16-12-18(25-24-16)19(20,21)22/h13-17H,3-12H2,1-2H3;11-16H,2-10H2,1H3;9-14H,3-8H2,1-2H3;7-12H,2-6H2,1H3;3-11H,1-2H3;7-12H,2-6H2,1H3/q6*-1
InChIKeyGSEDYHFRGSYGBB-UHFFFAOYSA-N
XLogP39.60
TPSA257.35 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds47
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002449.87
LogP ≤ 539.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

[2-[6-[4-(2-dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate
CID 158334062
hexakis(carbon dioxide);2-[3-(4-fluorophenyl)pyrazol-1-id-5-yl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-hexylfuran-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(5-hexylthiophen-2-yl)pyrazol-1-id-5-yl]pyridine;tris(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));triisothiocyanate
CID 160897091
4-(9,9-Dimethyl-3-pentylfluoren-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[3-(2-ethylhexyl)-1-benzofuran-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[3-(2-ethylhexyl)-1-benzothiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylpyren-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161603802
3-Fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
CID 159649431
4-(1-Benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(1-ethylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-yl-1,2-dihydropyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
CID 160730783
4-(1-Benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
CID 160812292
2-[2,6-Bis(4-pyridin-4-ylphenyl)-4-pyridinyl]pyrazolo[1,5-b]isoquinoline;2-dibenzofuran-4-ylpyrazolo[1,5-b]isoquinoline;2-dibenzothiophen-4-ylpyrazolo[1,5-b]isoquinoline;2-(2,6-diphenyl-4-pyridinyl)pyrazolo[1,5-b]isoquinoline;2-(4,6-diphenyl-2-pyridinyl)pyrazolo[1,5-b]isoquinoline;2-(6-naphthalen-2-ylnaphthalen-2-yl)pyrazolo[1,5-b]isoquinoline
CID 160964720
4-(1-Benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;3-(2-tert-butyl-6-methyl-4-pyridinyl)benzonitrile;4-(2-tert-butyl-6-methyl-4-pyridinyl)benzonitrile;2-tert-butyl-6-methyl-4-thiophen-3-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine
CID 161829470
4-(1-Benzylpyrrol-2-yl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzofuran-3-yl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-dibenzothiophen-3-yl-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-(1,1-dimethylsilol-2-yl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;4-(6-hexylnaphthalen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)-4-(2-methylthieno[2,3-b]thiophen-5-yl)pyridine
CID 161934908
1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene
CID 167540323

Frequently Asked Questions

What is the IUPAC name of 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158349808) is 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CCCCCCCCCCc1sccc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1c(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)ccn1CC.CCCCCCc1c(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)sc2sccc12.CCCCCCc1cc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)c(CCCCCC)s1.CCCCCCc1occc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1cc2ccccc2c(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.
What is the InChIKey of 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is GSEDYHFRGSYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N3S.C23H27F3N3S.C21H24F3N4.C21H19F3N3S2.C21H15F3N3.C19H19F3N3O/c1-3-5-7-9-11-19-16-20(23(32-19)12-10-8-6-4-2)18-13-14-29-21(15-18)22-17-24(31-30-22)25(26,27)28;1-2-3-4-5-6-7-8-9-10-21-18(12-14-30-21)17-11-13-27-19(15-17)20-16-22(29-28-20)23(24,25)26;1-3-5-6-7-8-19-16(10-12-28(19)4-2)15-9-11-25-17(13-15)18-14-20(27-26-18)21(22,23)24;1-2-3-4-5-6-14-15-8-10-28-20(15)29-19(14)13-7-9-25-16(11-13)17-12-18(27-26-17)21(22,23)24;1-12-9-14-5-3-4-6-16(14)13(2)20(12)15-7-8-25-17(10-15)18-11-19(27-26-18)21(22,23)24;1-2-3-4-5-6-17-14(8-10-26-17)13-7-9-23-15(11-13)16-12-18(25-24-16)19(20,21)22/h13-17H,3-12H2,1-2H3;11-16H,2-10H2,1H3;9-14H,3-8H2,1-2H3;7-12H,2-6H2,1H3;3-11H,1-2H3;7-12H,2-6H2,1H3/q6*-1.
What are the key properties of 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2449.87 g/mol, XLogP of 39.60, 47 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158349808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).