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

C188H198F10N42O11 — CID 158964939

IUPAC5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](CCO)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](CCO)CC4)n2)cc1-n1cnc(C(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(F)(F)F)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CCO)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CCO)CC4)n2)cc1-n1cnc(C(C)C)c1
InChIInChI=1S/2C28H31FN6O2.2C27H29FN6O2.2C27H29FN6O.C24H20F4N6O/c2*1-17-12-21(29)20(13-23(17)34-15-24(31-16-34)28(2,3)4)27(37)33-25-7-5-6-22(32-25)26-30-14-19-9-8-18(10-11-36)35(19)26;2*1-16(2)23-14-33(15-30-23)24-12-20(21(28)11-17(24)3)27(36)32-25-6-4-5-22(31-25)26-29-13-19-8-7-18(9-10-35)34(19)26;2*1-16-11-20(28)19(12-22(16)33-14-23(30-15-33)27(3,4)5)26(35)32-24-8-6-7-21(31-24)25-29-13-18-10-9-17(2)34(18)25;1-13-8-17(25)16(9-19(13)33-11-20(30-12-33)24(26,27)28)23(35)32-21-5-3-4-18(31-21)22-29-10-15-7-6-14(2)34(15)22/h2*5-7,12-16,18,36H,8-11H2,1-4H3,(H,32,33,37);2*4-6,11-16,18,35H,7-10H2,1-3H3,(H,31,32,36);2*6-8,11-15,17H,9-10H2,1-5H3,(H,31,32,35);3-5,8-12,14H,6-7H2,1-2H3,(H,31,32,35)/t4*18-;2*17-;14-/m1010101/s1
InChIKeyJNBVGEWSMAGZLC-VSNJYFHNSA-N
MW3411.91 g/mol
LogP36.27
Rot. Bonds38

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

5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide (PubChem CID 158964939) has the molecular formula C188H198F10N42O11 and a molecular weight of 3411.91 g/mol. Its IUPAC name is 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide.

Molecular Properties

Compound Name5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide
PubChem CID158964939
Molecular FormulaC188H198F10N42O11
Molecular Weight3411.91 g/mol
Exact Mass3409.61
IUPAC Name5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](CCO)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](CCO)CC4)n2)cc1-n1cnc(C(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(F)(F)F)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CCO)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CCO)CC4)n2)cc1-n1cnc(C(C)C)c1
InChIInChI=1S/2C28H31FN6O2.2C27H29FN6O2.2C27H29FN6O.C24H20F4N6O/c2*1-17-12-21(29)20(13-23(17)34-15-24(31-16-34)28(2,3)4)27(37)33-25-7-5-6-22(32-25)26-30-14-19-9-8-18(10-11-36)35(19)26;2*1-16(2)23-14-33(15-30-23)24-12-20(21(28)11-17(24)3)27(36)32-25-6-4-5-22(31-25)26-29-13-19-8-7-18(9-10-35)34(19)26;2*1-16-11-20(28)19(12-22(16)33-14-23(30-15-33)27(3,4)5)26(35)32-24-8-6-7-21(31-24)25-29-13-18-10-9-17(2)34(18)25;1-13-8-17(25)16(9-19(13)33-11-20(30-12-33)24(26,27)28)23(35)32-21-5-3-4-18(31-21)22-29-10-15-7-6-14(2)34(15)22/h2*5-7,12-16,18,36H,8-11H2,1-4H3,(H,32,33,37);2*4-6,11-16,18,35H,7-10H2,1-3H3,(H,31,32,36);2*6-8,11-15,17H,9-10H2,1-5H3,(H,31,32,35);3-5,8-12,14H,6-7H2,1-2H3,(H,31,32,35)/t4*18-;2*17-;14-/m1010101/s1
InChIKeyJNBVGEWSMAGZLC-VSNJYFHNSA-N
XLogP36.27
TPSA624.33 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003411.91
LogP ≤ 536.27
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Analyze 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-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-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-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-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide (CID 158964939) is 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-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-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-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-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](CCO)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](CCO)CC4)n2)cc1-n1cnc(C(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(F)(F)F)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CCO)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CCO)CC4)n2)cc1-n1cnc(C(C)C)c1.
What is the InChIKey of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide?
The InChIKey is JNBVGEWSMAGZLC-VSNJYFHNSA-N. The full InChI is InChI=1S/2C28H31FN6O2.2C27H29FN6O2.2C27H29FN6O.C24H20F4N6O/c2*1-17-12-21(29)20(13-23(17)34-15-24(31-16-34)28(2,3)4)27(37)33-25-7-5-6-22(32-25)26-30-14-19-9-8-18(10-11-36)35(19)26;2*1-16(2)23-14-33(15-30-23)24-12-20(21(28)11-17(24)3)27(36)32-25-6-4-5-22(31-25)26-29-13-19-8-7-18(9-10-35)34(19)26;2*1-16-11-20(28)19(12-22(16)33-14-23(30-15-33)27(3,4)5)26(35)32-24-8-6-7-21(31-24)25-29-13-18-10-9-17(2)34(18)25;1-13-8-17(25)16(9-19(13)33-11-20(30-12-33)24(26,27)28)23(35)32-21-5-3-4-18(31-21)22-29-10-15-7-6-14(2)34(15)22/h2*5-7,12-16,18,36H,8-11H2,1-4H3,(H,32,33,37);2*4-6,11-16,18,35H,7-10H2,1-3H3,(H,31,32,36);2*6-8,11-15,17H,9-10H2,1-5H3,(H,31,32,35);3-5,8-12,14H,6-7H2,1-2H3,(H,31,32,35)/t4*18-;2*17-;14-/m1010101/s1.
What are the key properties of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide?
5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide has a molecular weight of 3411.91 g/mol, XLogP of 36.27, 38 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[(5R)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methyl-5-(4-propan-2-ylimidazol-1-yl)benzamide;2-fluoro-N-[6-[(5S)-5-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-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[1,2-c]imidazol-3-yl]-2-pyridinyl]-5-[4-(trifluoromethyl)imidazol-1-yl]benzamide is sourced from PubChem (CID 158964939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).