[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone

C170H173ClF11N43O15 — CID 159760546

IUPAC[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(C3CCCC3)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2ccnc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2nccc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CCCc1nc2c(C)cc(C(=O)N3CCN(C(=O)c4ncn(-c5ccccc5)n4)C(C)(C)C3)cc2[nH]1.COc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2cc(F)c(F)cc12.Cc1cc2cc(C(=O)N3CCN(C(=O)c4ncn(-c5ccccc5)n4)C(C)(C)C3)ccc2[nH]1
InChIInChI=1S/C27H31N7O2.C27H31N5O2.C26H24F2N6O3.C25H26N6O2.C23H21ClF3N5O2.2C21H20F3N7O2/c1-5-9-22-29-21-15-19(14-18(2)23(21)30-22)25(35)32-12-13-33(27(3,4)16-32)26(36)24-28-17-34(31-24)20-10-7-6-8-11-20;1-27(2)18-30(25(33)22-12-8-11-21(17-22)20-9-6-7-10-20)15-16-31(27)26(34)24-28-19-32(29-24)23-13-4-3-5-14-23;1-26(2)14-32(24(35)21-12-16-11-19(27)20(28)13-18(16)23(30-21)37-3)9-10-33(26)25(36)22-29-15-34(31-22)17-7-5-4-6-8-17;1-17-13-19-14-18(9-10-21(19)27-17)23(32)29-11-12-30(25(2,3)15-29)24(33)22-26-16-31(28-22)20-7-5-4-6-8-20;1-22(2)13-30(20(33)15-10-16(23(25,26)27)12-17(24)11-15)8-9-31(22)21(34)19-28-14-32(29-19)18-6-4-3-5-7-18;1-20(2)12-29(18(32)16-25-9-8-15(27-16)21(22,23)24)10-11-30(20)19(33)17-26-13-31(28-17)14-6-4-3-5-7-14;1-20(2)12-29(17(32)15-8-9-25-19(27-15)21(22,23)24)10-11-30(20)18(33)16-26-13-31(28-16)14-6-4-3-5-7-14/h6-8,10-11,14-15,17H,5,9,12-13,16H2,1-4H3,(H,29,30);3-5,8,11-14,17,19-20H,6-7,9-10,15-16,18H2,1-2H3;4-8,11-13,15H,9-10,14H2,1-3H3;4-10,13-14,16,27H,11-12,15H2,1-3H3;3-7,10-12,14H,8-9,13H2,1-2H3;2*3-9,13H,10-12H2,1-2H3
InChIKeyNEVALDHWFCFQCJ-UHFFFAOYSA-N
MW3302.97 g/mol
LogP24.22
Rot. Bonds25

About [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone

[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone (PubChem CID 159760546) has the molecular formula C170H173ClF11N43O15 and a molecular weight of 3302.97 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone
PubChem CID159760546
Molecular FormulaC170H173ClF11N43O15
Molecular Weight3302.97 g/mol
Exact Mass3300.36
IUPAC Name[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(C3CCCC3)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2ccnc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2nccc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CCCc1nc2c(C)cc(C(=O)N3CCN(C(=O)c4ncn(-c5ccccc5)n4)C(C)(C)C3)cc2[nH]1.COc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2cc(F)c(F)cc12.Cc1cc2cc(C(=O)N3CCN(C(=O)c4ncn(-c5ccccc5)n4)C(C)(C)C3)ccc2[nH]1
InChIInChI=1S/C27H31N7O2.C27H31N5O2.C26H24F2N6O3.C25H26N6O2.C23H21ClF3N5O2.2C21H20F3N7O2/c1-5-9-22-29-21-15-19(14-18(2)23(21)30-22)25(35)32-12-13-33(27(3,4)16-32)26(36)24-28-17-34(31-24)20-10-7-6-8-11-20;1-27(2)18-30(25(33)22-12-8-11-21(17-22)20-9-6-7-10-20)15-16-31(27)26(34)24-28-19-32(29-24)23-13-4-3-5-14-23;1-26(2)14-32(24(35)21-12-16-11-19(27)20(28)13-18(16)23(30-21)37-3)9-10-33(26)25(36)22-29-15-34(31-22)17-7-5-4-6-8-17;1-17-13-19-14-18(9-10-21(19)27-17)23(32)29-11-12-30(25(2,3)15-29)24(33)22-26-16-31(28-22)20-7-5-4-6-8-20;1-22(2)13-30(20(33)15-10-16(23(25,26)27)12-17(24)11-15)8-9-31(22)21(34)19-28-14-32(29-19)18-6-4-3-5-7-18;1-20(2)12-29(18(32)16-25-9-8-15(27-16)21(22,23)24)10-11-30(20)19(33)17-26-13-31(28-17)14-6-4-3-5-7-14;1-20(2)12-29(17(32)15-8-9-25-19(27-15)21(22,23)24)10-11-30(20)18(33)16-26-13-31(28-16)14-6-4-3-5-7-14/h6-8,10-11,14-15,17H,5,9,12-13,16H2,1-4H3,(H,29,30);3-5,8,11-14,17,19-20H,6-7,9-10,15-16,18H2,1-2H3;4-8,11-13,15H,9-10,14H2,1-3H3;4-10,13-14,16,27H,11-12,15H2,1-3H3;3-7,10-12,14H,8-9,13H2,1-2H3;2*3-9,13H,10-12H2,1-2H3
InChIKeyNEVALDHWFCFQCJ-UHFFFAOYSA-N
XLogP24.22
TPSA617.46 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds25
Heavy Atoms240
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003302.97
LogP ≤ 524.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone?
The IUPAC name of [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone (CID 159760546) is [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone is CC1(C)CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(C3CCCC3)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2ccnc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2nccc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CCCc1nc2c(C)cc(C(=O)N3CCN(C(=O)c4ncn(-c5ccccc5)n4)C(C)(C)C3)cc2[nH]1.COc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2cc(F)c(F)cc12.Cc1cc2cc(C(=O)N3CCN(C(=O)c4ncn(-c5ccccc5)n4)C(C)(C)C3)ccc2[nH]1.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone?
The InChIKey is NEVALDHWFCFQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2.C27H31N5O2.C26H24F2N6O3.C25H26N6O2.C23H21ClF3N5O2.2C21H20F3N7O2/c1-5-9-22-29-21-15-19(14-18(2)23(21)30-22)25(35)32-12-13-33(27(3,4)16-32)26(36)24-28-17-34(31-24)20-10-7-6-8-11-20;1-27(2)18-30(25(33)22-12-8-11-21(17-22)20-9-6-7-10-20)15-16-31(27)26(34)24-28-19-32(29-24)23-13-4-3-5-14-23;1-26(2)14-32(24(35)21-12-16-11-19(27)20(28)13-18(16)23(30-21)37-3)9-10-33(26)25(36)22-29-15-34(31-22)17-7-5-4-6-8-17;1-17-13-19-14-18(9-10-21(19)27-17)23(32)29-11-12-30(25(2,3)15-29)24(33)22-26-16-31(28-22)20-7-5-4-6-8-20;1-22(2)13-30(20(33)15-10-16(23(25,26)27)12-17(24)11-15)8-9-31(22)21(34)19-28-14-32(29-19)18-6-4-3-5-7-18;1-20(2)12-29(18(32)16-25-9-8-15(27-16)21(22,23)24)10-11-30(20)19(33)17-26-13-31(28-17)14-6-4-3-5-7-14;1-20(2)12-29(17(32)15-8-9-25-19(27-15)21(22,23)24)10-11-30(20)18(33)16-26-13-31(28-16)14-6-4-3-5-7-14/h6-8,10-11,14-15,17H,5,9,12-13,16H2,1-4H3,(H,29,30);3-5,8,11-14,17,19-20H,6-7,9-10,15-16,18H2,1-2H3;4-8,11-13,15H,9-10,14H2,1-3H3;4-10,13-14,16,27H,11-12,15H2,1-3H3;3-7,10-12,14H,8-9,13H2,1-2H3;2*3-9,13H,10-12H2,1-2H3.
What are the key properties of [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone?
[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone has a molecular weight of 3302.97 g/mol, XLogP of 24.22, 25 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone is sourced from PubChem (CID 159760546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).