5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide

C181H191F10N49O11 — CID 160883312

IUPAC5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide
SMILESCOC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)(C)C)c5)c(C)cc4F)n3)n21.COC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)C)c5)c(C)cc4F)n3)n21.COC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)(C)C)c5)c(C)cc4F)n3)n21.COC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)C)c5)c(C)cc4F)n3)n21.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(F)(F)F)c1
InChIInChI=1S/2C27H30FN7O2.2C26H28FN7O2.2C26H28FN7O.C23H19F4N7O/c2*1-16-11-19(28)18(12-21(16)34-13-22(29-15-34)27(2,3)4)26(36)31-23-8-6-7-20(30-23)25-33-32-24-10-9-17(14-37-5)35(24)25;2*1-15(2)21-12-33(14-28-21)22-11-18(19(27)10-16(22)3)26(35)30-23-7-5-6-20(29-23)25-32-31-24-9-8-17(13-36-4)34(24)25;2*1-15-11-18(27)17(12-20(15)33-13-21(28-14-33)26(3,4)5)25(35)30-22-8-6-7-19(29-22)24-32-31-23-10-9-16(2)34(23)24;1-12-8-15(24)14(9-17(12)33-10-18(28-11-33)23(25,26)27)22(35)30-19-5-3-4-16(29-19)21-32-31-20-7-6-13(2)34(20)21/h2*6-8,11-13,15,17H,9-10,14H2,1-5H3,(H,30,31,36);2*5-7,10-12,14-15,17H,8-9,13H2,1-4H3,(H,29,30,35);2*6-8,11-14,16H,9-10H2,1-5H3,(H,29,30,35);3-5,8-11,13H,6-7H2,1-2H3,(H,29,30,35)/t4*17-;2*16-;13-/m1010101/s1
InChIKeySNHQWGDJWWLXDX-RFLXXJOWSA-N
MW3418.83 g/mol
LogP33.09
Rot. Bonds38

About 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide

5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide (PubChem CID 160883312) has the molecular formula C181H191F10N49O11 and a molecular weight of 3418.83 g/mol. Its IUPAC name is 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide.

Molecular Properties

Compound Name5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide
PubChem CID160883312
Molecular FormulaC181H191F10N49O11
Molecular Weight3418.83 g/mol
Exact Mass3416.57
IUPAC Name5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide
SMILESCOC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)(C)C)c5)c(C)cc4F)n3)n21.COC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)C)c5)c(C)cc4F)n3)n21.COC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)(C)C)c5)c(C)cc4F)n3)n21.COC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)C)c5)c(C)cc4F)n3)n21.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(F)(F)F)c1
InChIInChI=1S/2C27H30FN7O2.2C26H28FN7O2.2C26H28FN7O.C23H19F4N7O/c2*1-16-11-19(28)18(12-21(16)34-13-22(29-15-34)27(2,3)4)26(36)31-23-8-6-7-20(30-23)25-33-32-24-10-9-17(14-37-5)35(24)25;2*1-15(2)21-12-33(14-28-21)22-11-18(19(27)10-16(22)3)26(35)30-23-7-5-6-20(29-23)25-32-31-24-9-8-17(13-36-4)34(24)25;2*1-15-11-18(27)17(12-20(15)33-13-21(28-14-33)26(3,4)5)25(35)30-22-8-6-7-19(29-22)24-32-31-23-10-9-16(2)34(23)24;1-12-8-15(24)14(9-17(12)33-10-18(28-11-33)23(25,26)27)22(35)30-19-5-3-4-16(29-19)21-32-31-20-7-6-13(2)34(20)21/h2*6-8,11-13,15,17H,9-10,14H2,1-5H3,(H,30,31,36);2*5-7,10-12,14-15,17H,8-9,13H2,1-4H3,(H,29,30,35);2*6-8,11-14,16H,9-10H2,1-5H3,(H,29,30,35);3-5,8-11,13H,6-7H2,1-2H3,(H,29,30,35)/t4*17-;2*16-;13-/m1010101/s1
InChIKeySNHQWGDJWWLXDX-RFLXXJOWSA-N
XLogP33.09
TPSA670.56 Ų
H-Bond Donors7
H-Bond Acceptors53
Rotatable Bonds38
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003418.83
LogP ≤ 533.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1053

Analyze 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide?
The IUPAC name of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide (CID 160883312) is 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide.
What is the SMILES notation for 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide?
The canonical SMILES for 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide is COC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)(C)C)c5)c(C)cc4F)n3)n21.COC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)C)c5)c(C)cc4F)n3)n21.COC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)(C)C)c5)c(C)cc4F)n3)n21.COC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C(C)C)c5)c(C)cc4F)n3)n21.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(F)(F)F)c1.
What is the InChIKey of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide?
The InChIKey is SNHQWGDJWWLXDX-RFLXXJOWSA-N. The full InChI is InChI=1S/2C27H30FN7O2.2C26H28FN7O2.2C26H28FN7O.C23H19F4N7O/c2*1-16-11-19(28)18(12-21(16)34-13-22(29-15-34)27(2,3)4)26(36)31-23-8-6-7-20(30-23)25-33-32-24-10-9-17(14-37-5)35(24)25;2*1-15(2)21-12-33(14-28-21)22-11-18(19(27)10-16(22)3)26(35)30-23-7-5-6-20(29-23)25-32-31-24-9-8-17(13-36-4)34(24)25;2*1-15-11-18(27)17(12-20(15)33-13-21(28-14-33)26(3,4)5)25(35)30-22-8-6-7-19(29-22)24-32-31-23-10-9-16(2)34(23)24;1-12-8-15(24)14(9-17(12)33-10-18(28-11-33)23(25,26)27)22(35)30-19-5-3-4-16(29-19)21-32-31-20-7-6-13(2)34(20)21/h2*6-8,11-13,15,17H,9-10,14H2,1-5H3,(H,30,31,36);2*5-7,10-12,14-15,17H,8-9,13H2,1-4H3,(H,29,30,35);2*6-8,11-14,16H,9-10H2,1-5H3,(H,29,30,35);3-5,8-11,13H,6-7H2,1-2H3,(H,29,30,35)/t4*17-;2*16-;13-/m1010101/s1.
What are the key properties of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide?
5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide has a molecular weight of 3418.83 g/mol, XLogP of 33.09, 38 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5S)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5R)-5-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide is sourced from PubChem (CID 160883312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).