N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone

C109H108F9N25O5 — CID 159677470

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone
SMILESCCOC(=O)c1cn(-c2ccnc(N[C@@H](C)c3ccccc3)n2)c(-c2ccccc2)n1.C[C@H](Nc1nccc(-n2cc(C(=O)N3CCCCC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.C[C@H](Nc1nccc(-n2cc(C(=O)NCCN(C)C)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.C[C@H](Nc1nccc(-n2cc(C(=O)N[C@@H]3CN4CCC3CC4)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/C30H30F3N7O.C28H27F3N6O.C27H28F3N7O.C24H23N5O2/c1-19(20-6-3-2-4-7-20)35-29-34-13-10-26(38-29)40-18-25(28(41)37-24-17-39-14-11-21(24)12-15-39)36-27(40)22-8-5-9-23(16-22)30(31,32)33;1-19(20-9-4-2-5-10-20)33-27-32-14-13-24(35-27)37-18-23(26(38)36-15-6-3-7-16-36)34-25(37)21-11-8-12-22(17-21)28(29,30)31;1-18(19-8-5-4-6-9-19)33-26-32-13-12-23(35-26)37-17-22(25(38)31-14-15-36(2)3)34-24(37)20-10-7-11-21(16-20)27(28,29)30;1-3-31-23(30)20-16-29(22(27-20)19-12-8-5-9-13-19)21-14-15-25-24(28-21)26-17(2)18-10-6-4-7-11-18/h2-10,13,16,18-19,21,24H,11-12,14-15,17H2,1H3,(H,37,41)(H,34,35,38);2,4-5,8-14,17-19H,3,6-7,15-16H2,1H3,(H,32,33,35);4-13,16-18H,14-15H2,1-3H3,(H,31,38)(H,32,33,35);4-17H,3H2,1-2H3,(H,25,26,28)/t19-,24+;19-;18-;17-/m0000/s1
InChIKeyMUUCGWYLPNNKRQ-HIJCAKNLSA-N
MW2019.21 g/mol
LogP20.98
Rot. Bonds29

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 159677470) has the molecular formula C109H108F9N25O5 and a molecular weight of 2019.21 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone
PubChem CID159677470
Molecular FormulaC109H108F9N25O5
Molecular Weight2019.21 g/mol
Exact Mass2017.88
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone
SMILESCCOC(=O)c1cn(-c2ccnc(N[C@@H](C)c3ccccc3)n2)c(-c2ccccc2)n1.C[C@H](Nc1nccc(-n2cc(C(=O)N3CCCCC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.C[C@H](Nc1nccc(-n2cc(C(=O)NCCN(C)C)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.C[C@H](Nc1nccc(-n2cc(C(=O)N[C@@H]3CN4CCC3CC4)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/C30H30F3N7O.C28H27F3N6O.C27H28F3N7O.C24H23N5O2/c1-19(20-6-3-2-4-7-20)35-29-34-13-10-26(38-29)40-18-25(28(41)37-24-17-39-14-11-21(24)12-15-39)36-27(40)22-8-5-9-23(16-22)30(31,32)33;1-19(20-9-4-2-5-10-20)33-27-32-14-13-24(35-27)37-18-23(26(38)36-15-6-3-7-16-36)34-25(37)21-11-8-12-22(17-21)28(29,30)31;1-18(19-8-5-4-6-9-19)33-26-32-13-12-23(35-26)37-17-22(25(38)31-14-15-36(2)3)34-24(37)20-10-7-11-21(16-20)27(28,29)30;1-3-31-23(30)20-16-29(22(27-20)19-12-8-5-9-13-19)21-14-15-25-24(28-21)26-17(2)18-10-6-4-7-11-18/h2-10,13,16,18-19,21,24H,11-12,14-15,17H2,1H3,(H,37,41)(H,34,35,38);2,4-5,8-14,17-19H,3,6-7,15-16H2,1H3,(H,32,33,35);4-13,16-18H,14-15H2,1-3H3,(H,31,38)(H,32,33,35);4-17H,3H2,1-2H3,(H,25,26,28)/t19-,24+;19-;18-;17-/m0000/s1
InChIKeyMUUCGWYLPNNKRQ-HIJCAKNLSA-N
XLogP20.98
TPSA333.81 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002019.21
LogP ≤ 520.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

(S)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-(3-trifluoromethylphenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 9848045
Ethyl 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 18338456
7-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine
CID 157129590
4-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;4-[[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 157280869
7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;[4-(trifluoromethyl)phenyl]methanamine
CID 157389156
tert-butyl 4-[[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carbonyl]amino]piperidine-1-carboxylate;ethyl 1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
CID 157726574
4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 158033548
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 159050204
ethyl 1-[2-(tert-butylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;ethyl 1-[2-[2-(2-chlorophenyl)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;ethyl 1-[2-(cyclobutylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;ethyl 1-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;[2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-piperazin-1-ylmethanone
CID 159246657
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperazin-1-ylmethanone;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone
CID 159671119
tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 159809163
2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
CID 159917322

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone (CID 159677470) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone is CCOC(=O)c1cn(-c2ccnc(N[C@@H](C)c3ccccc3)n2)c(-c2ccccc2)n1.C[C@H](Nc1nccc(-n2cc(C(=O)N3CCCCC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.C[C@H](Nc1nccc(-n2cc(C(=O)NCCN(C)C)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.C[C@H](Nc1nccc(-n2cc(C(=O)N[C@@H]3CN4CCC3CC4)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MUUCGWYLPNNKRQ-HIJCAKNLSA-N. The full InChI is InChI=1S/C30H30F3N7O.C28H27F3N6O.C27H28F3N7O.C24H23N5O2/c1-19(20-6-3-2-4-7-20)35-29-34-13-10-26(38-29)40-18-25(28(41)37-24-17-39-14-11-21(24)12-15-39)36-27(40)22-8-5-9-23(16-22)30(31,32)33;1-19(20-9-4-2-5-10-20)33-27-32-14-13-24(35-27)37-18-23(26(38)36-15-6-3-7-16-36)34-25(37)21-11-8-12-22(17-21)28(29,30)31;1-18(19-8-5-4-6-9-19)33-26-32-13-12-23(35-26)37-17-22(25(38)31-14-15-36(2)3)34-24(37)20-10-7-11-21(16-20)27(28,29)30;1-3-31-23(30)20-16-29(22(27-20)19-12-8-5-9-13-19)21-14-15-25-24(28-21)26-17(2)18-10-6-4-7-11-18/h2-10,13,16,18-19,21,24H,11-12,14-15,17H2,1H3,(H,37,41)(H,34,35,38);2,4-5,8-14,17-19H,3,6-7,15-16H2,1H3,(H,32,33,35);4-13,16-18H,14-15H2,1-3H3,(H,31,38)(H,32,33,35);4-17H,3H2,1-2H3,(H,25,26,28)/t19-,24+;19-;18-;17-/m0000/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 2019.21 g/mol, XLogP of 20.98, 29 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159677470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).