1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C107H91BrF8N20O5S2 — CID 157308667

IUPAC1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(Nc2ccccc2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2ncc(-c3ccccc3)s2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2nccs2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2cccc(Br)c2)C(=O)C1
InChIInChI=1S/C30H25F2N5OS.C27H25F2N5O.C26H20BrF2N5O2.C24H21F2N5OS/c31-24-10-6-21(7-11-24)28-34-29(22-8-12-25(32)13-9-22)37(35-28)19-27(38)36-16-14-23(15-17-36)30-33-18-26(39-30)20-4-2-1-3-5-20;28-21-10-6-19(7-11-21)26-31-27(20-8-12-22(29)13-9-20)34(32-26)18-25(35)33-16-14-24(15-17-33)30-23-4-2-1-3-5-23;27-19-2-1-3-22(14-19)33-13-12-32(15-24(33)36)23(35)16-34-26(18-6-10-21(29)11-7-18)30-25(31-34)17-4-8-20(28)9-5-17;25-19-5-1-16(2-6-19)22-28-23(17-3-7-20(26)8-4-17)31(29-22)15-21(32)30-12-9-18(10-13-30)24-27-11-14-33-24/h1-13,18,23H,14-17,19H2;1-13,24,30H,14-18H2;1-11,14H,12-13,15-16H2;1-8,11,14,18H,9-10,12-13,15H2
InChIKeyBCTZTEWTLYHMSD-UHFFFAOYSA-N
MW2033.06 g/mol
LogP20.69
Rot. Bonds22

About 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 157308667) has the molecular formula C107H91BrF8N20O5S2 and a molecular weight of 2033.06 g/mol. Its IUPAC name is 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID157308667
Molecular FormulaC107H91BrF8N20O5S2
Molecular Weight2033.06 g/mol
Exact Mass2030.60
IUPAC Name1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(Nc2ccccc2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2ncc(-c3ccccc3)s2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2nccs2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2cccc(Br)c2)C(=O)C1
InChIInChI=1S/C30H25F2N5OS.C27H25F2N5O.C26H20BrF2N5O2.C24H21F2N5OS/c31-24-10-6-21(7-11-24)28-34-29(22-8-12-25(32)13-9-22)37(35-28)19-27(38)36-16-14-23(15-17-36)30-33-18-26(39-30)20-4-2-1-3-5-20;28-21-10-6-19(7-11-21)26-31-27(20-8-12-22(29)13-9-20)34(32-26)18-25(35)33-16-14-24(15-17-33)30-23-4-2-1-3-5-23;27-19-2-1-3-22(14-19)33-13-12-32(15-24(33)36)23(35)16-34-26(18-6-10-21(29)11-7-18)30-25(31-34)17-4-8-20(28)9-5-17;25-19-5-1-16(2-6-19)22-28-23(17-3-7-20(26)8-4-17)31(29-22)15-21(32)30-12-9-18(10-13-30)24-27-11-14-33-24/h1-13,18,23H,14-17,19H2;1-13,24,30H,14-18H2;1-11,14H,12-13,15-16H2;1-8,11,14,18H,9-10,12-13,15H2
InChIKeyBCTZTEWTLYHMSD-UHFFFAOYSA-N
XLogP20.69
TPSA262.20 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.06
LogP ≤ 520.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[5-(4-Bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 158566496
4-[5-(4-Bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine
CID 160475338
1-[5-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-ethylurea;1-[5-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea;1-[5-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(2-fluorophenyl)piperazin-2-one
CID 160695639
2-[5-(4-Bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 160898749
1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanethione;1-[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]ethanone;[2-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazol-4-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;3-bromo-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(3-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 160905524

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 157308667) is 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(Nc2ccccc2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2ncc(-c3ccccc3)s2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2nccs2)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2cccc(Br)c2)C(=O)C1.
What is the InChIKey of 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is BCTZTEWTLYHMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5OS.C27H25F2N5O.C26H20BrF2N5O2.C24H21F2N5OS/c31-24-10-6-21(7-11-24)28-34-29(22-8-12-25(32)13-9-22)37(35-28)19-27(38)36-16-14-23(15-17-36)30-33-18-26(39-30)20-4-2-1-3-5-20;28-21-10-6-19(7-11-21)26-31-27(20-8-12-22(29)13-9-20)34(32-26)18-25(35)33-16-14-24(15-17-33)30-23-4-2-1-3-5-23;27-19-2-1-3-22(14-19)33-13-12-32(15-24(33)36)23(35)16-34-26(18-6-10-21(29)11-7-18)30-25(31-34)17-4-8-20(28)9-5-17;25-19-5-1-16(2-6-19)22-28-23(17-3-7-20(26)8-4-17)31(29-22)15-21(32)30-12-9-18(10-13-30)24-27-11-14-33-24/h1-13,18,23H,14-17,19H2;1-13,24,30H,14-18H2;1-11,14H,12-13,15-16H2;1-8,11,14,18H,9-10,12-13,15H2.
What are the key properties of 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 2033.06 g/mol, XLogP of 20.69, 22 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinopiperidin-1-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-bromophenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 157308667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).