2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone

C120H126F13N27O5 — CID 157416539

IUPAC2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOCCN1CCCN(c2cccc(-c3cn(-c4cc(CC(=O)c5cc(C(F)(F)F)ccn5)cnc4C)nn3)c2)CC1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(CC3CCN(C(C)C)CC3)c2)nn1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(N(C)C3CCN(C(C)C)CC3)c2)nn1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(N3CCN(CCF)CC3)c2)nn1
InChIInChI=1S/C31H34F3N7O.C31H33F3N6O.C30H32F3N7O2.C28H27F4N7O/c1-20(2)40-12-9-25(10-13-40)39(4)26-7-5-6-23(16-26)28-19-41(38-37-28)29-14-22(18-36-21(29)3)15-30(42)27-17-24(8-11-35-27)31(32,33)34;1-20(2)39-11-8-22(9-12-39)13-23-5-4-6-25(14-23)28-19-40(38-37-28)29-15-24(18-36-21(29)3)16-30(41)27-17-26(7-10-35-27)31(32,33)34;1-21-28(15-22(19-35-21)16-29(41)26-18-24(7-8-34-26)30(31,32)33)40-20-27(36-37-40)23-5-3-6-25(17-23)39-10-4-9-38(11-12-39)13-14-42-2;1-19-26(13-20(17-34-19)14-27(40)24-16-22(5-7-33-24)28(30,31)32)39-18-25(35-36-39)21-3-2-4-23(15-21)38-11-9-37(8-6-29)10-12-38/h5-8,11,14,16-20,25H,9-10,12-13,15H2,1-4H3;4-7,10,14-15,17-20,22H,8-9,11-13,16H2,1-3H3;3,5-8,15,17-20H,4,9-14,16H2,1-2H3;2-5,7,13,15-18H,6,8-12,14H2,1H3
InChIKeyBOXJWMYTPMJQFW-UHFFFAOYSA-N
MW2273.49 g/mol
LogP21.13
Rot. Bonds33

About 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone

2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 157416539) has the molecular formula C120H126F13N27O5 and a molecular weight of 2273.49 g/mol. Its IUPAC name is 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID157416539
Molecular FormulaC120H126F13N27O5
Molecular Weight2273.49 g/mol
Exact Mass2272.02
IUPAC Name2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOCCN1CCCN(c2cccc(-c3cn(-c4cc(CC(=O)c5cc(C(F)(F)F)ccn5)cnc4C)nn3)c2)CC1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(CC3CCN(C(C)C)CC3)c2)nn1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(N(C)C3CCN(C(C)C)CC3)c2)nn1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(N3CCN(CCF)CC3)c2)nn1
InChIInChI=1S/C31H34F3N7O.C31H33F3N6O.C30H32F3N7O2.C28H27F4N7O/c1-20(2)40-12-9-25(10-13-40)39(4)26-7-5-6-23(16-26)28-19-41(38-37-28)29-14-22(18-36-21(29)3)15-30(42)27-17-24(8-11-35-27)31(32,33)34;1-20(2)39-11-8-22(9-12-39)13-23-5-4-6-25(14-23)28-19-40(38-37-28)29-15-24(18-36-21(29)3)16-30(41)27-17-26(7-10-35-27)31(32,33)34;1-21-28(15-22(19-35-21)16-29(41)26-18-24(7-8-34-26)30(31,32)33)40-20-27(36-37-40)23-5-3-6-25(17-23)39-10-4-9-38(11-12-39)13-14-42-2;1-19-26(13-20(17-34-19)14-27(40)24-16-22(5-7-33-24)28(30,31)32)39-18-25(35-36-39)21-3-2-4-23(15-21)38-11-9-37(8-6-29)10-12-38/h5-8,11,14,16-20,25H,9-10,12-13,15H2,1-4H3;4-7,10,14-15,17-20,22H,8-9,11-13,16H2,1-3H3;3,5-8,15,17-20H,4,9-14,16H2,1-2H3;2-5,7,13,15-18H,6,8-12,14H2,1H3
InChIKeyBOXJWMYTPMJQFW-UHFFFAOYSA-N
XLogP21.13
TPSA326.15 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002273.49
LogP ≤ 521.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[6-Methyl-5-[4-[5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563219
2-[5-[4-[5-[4-(2-Ethoxyethyl)piperazin-1-yl]-3-pyridinyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563230
2-[6-Methyl-5-[4-[5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563284
2-[5-[4-[5-[4-(2-Methoxyethyl)-1,4-diazepan-1-yl]-3-pyridinyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563414
2-[6-Methyl-5-[4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563457
2-[6-Methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563566
2-[5-[4-[3-[4-(2-Methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563571
2-[6-Methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157113299
N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylpyridine-2-carboxamide
CID 157381613
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide
CID 158308343
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide
CID 159062450
2-[6-Methyl-5-[4-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-(4-pentan-3-ylpiperazin-1-yl)phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-(4-propan-2-yl-1,4-diazepan-1-yl)phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 160140786

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 157416539) is 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone is COCCN1CCCN(c2cccc(-c3cn(-c4cc(CC(=O)c5cc(C(F)(F)F)ccn5)cnc4C)nn3)c2)CC1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(CC3CCN(C(C)C)CC3)c2)nn1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(N(C)C3CCN(C(C)C)CC3)c2)nn1.Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(N3CCN(CCF)CC3)c2)nn1.
What is the InChIKey of 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is BOXJWMYTPMJQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N7O.C31H33F3N6O.C30H32F3N7O2.C28H27F4N7O/c1-20(2)40-12-9-25(10-13-40)39(4)26-7-5-6-23(16-26)28-19-41(38-37-28)29-14-22(18-36-21(29)3)15-30(42)27-17-24(8-11-35-27)31(32,33)34;1-20(2)39-11-8-22(9-12-39)13-23-5-4-6-25(14-23)28-19-40(38-37-28)29-15-24(18-36-21(29)3)16-30(41)27-17-26(7-10-35-27)31(32,33)34;1-21-28(15-22(19-35-21)16-29(41)26-18-24(7-8-34-26)30(31,32)33)40-20-27(36-37-40)23-5-3-6-25(17-23)39-10-4-9-38(11-12-39)13-14-42-2;1-19-26(13-20(17-34-19)14-27(40)24-16-22(5-7-33-24)28(30,31)32)39-18-25(35-36-39)21-3-2-4-23(15-21)38-11-9-37(8-6-29)10-12-38/h5-8,11,14,16-20,25H,9-10,12-13,15H2,1-4H3;4-7,10,14-15,17-20,22H,8-9,11-13,16H2,1-3H3;3,5-8,15,17-20H,4,9-14,16H2,1-2H3;2-5,7,13,15-18H,6,8-12,14H2,1H3.
What are the key properties of 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 2273.49 g/mol, XLogP of 21.13, 33 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[3-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[5-[4-[3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]phenyl]triazol-1-yl]-6-methyl-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone;2-[6-methyl-5-[4-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 157416539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).