5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide

C139H143F5N30O5 — CID 159742724

IUPAC5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide
SMILESCCC[C@@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.CCC[C@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.CC[C@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](C(C)C)CC4)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C(C)C)CC4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/4C28H29FN6O.C27H27FN6O/c2*1-16(2)24-10-9-19-13-30-27(35(19)24)22-5-4-6-26(32-22)33-28(36)20-12-25(17(3)11-21(20)29)34-14-23(31-15-34)18-7-8-18;2*1-3-5-19-10-11-20-14-30-27(35(19)20)23-6-4-7-26(32-23)33-28(36)21-13-25(17(2)12-22(21)29)34-15-24(31-16-34)18-8-9-18;1-3-18-9-10-19-13-29-26(34(18)19)22-5-4-6-25(31-22)32-27(35)20-12-24(16(2)11-21(20)28)33-14-23(30-15-33)17-7-8-17/h2*4-6,11-16,18,24H,7-10H2,1-3H3,(H,32,33,36);2*4,6-7,12-16,18-19H,3,5,8-11H2,1-2H3,(H,32,33,36);4-6,11-15,17-18H,3,7-10H2,1-2H3,(H,31,32,35)/t2*24-;2*19-;18-/m10100/s1
InChIKeyNCQWWTPQDIVTBO-PVPFGFJJSA-N
MW2408.87 g/mol
LogP29.30
Rot. Bonds32

About 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide

5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide (PubChem CID 159742724) has the molecular formula C139H143F5N30O5 and a molecular weight of 2408.87 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide
PubChem CID159742724
Molecular FormulaC139H143F5N30O5
Molecular Weight2408.87 g/mol
Exact Mass2407.18
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide
SMILESCCC[C@@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.CCC[C@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.CC[C@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](C(C)C)CC4)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C(C)C)CC4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/4C28H29FN6O.C27H27FN6O/c2*1-16(2)24-10-9-19-13-30-27(35(19)24)22-5-4-6-26(32-22)33-28(36)20-12-25(17(3)11-21(20)29)34-14-23(31-15-34)18-7-8-18;2*1-3-5-19-10-11-20-14-30-27(35(19)20)23-6-4-7-26(32-23)33-28(36)21-13-25(17(2)12-22(21)29)34-15-24(31-16-34)18-8-9-18;1-3-18-9-10-19-13-29-26(34(18)19)22-5-4-6-25(31-22)32-27(35)20-12-24(16(2)11-21(20)28)33-14-23(30-15-33)17-7-8-17/h2*4-6,11-16,18,24H,7-10H2,1-3H3,(H,32,33,36);2*4,6-7,12-16,18-19H,3,5,8-11H2,1-2H3,(H,32,33,36);4-6,11-15,17-18H,3,7-10H2,1-2H3,(H,31,32,35)/t2*24-;2*19-;18-/m10100/s1
InChIKeyNCQWWTPQDIVTBO-PVPFGFJJSA-N
XLogP29.30
TPSA388.15 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002408.87
LogP ≤ 529.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 158092590
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386012
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386013
5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5R)-5-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride
CID 158719230
5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 160540581
5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 159386015
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
CID 158964942
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[1-[(2S)-1-fluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 158056694
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide
CID 142417497
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263
5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethynyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 142417433

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide (CID 159742724) is 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide is CCC[C@@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.CCC[C@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.CC[C@H]1CCc2cnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](C(C)C)CC4)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](C(C)C)CC4)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide?
The InChIKey is NCQWWTPQDIVTBO-PVPFGFJJSA-N. The full InChI is InChI=1S/4C28H29FN6O.C27H27FN6O/c2*1-16(2)24-10-9-19-13-30-27(35(19)24)22-5-4-6-26(32-22)33-28(36)20-12-25(17(3)11-21(20)29)34-14-23(31-15-34)18-7-8-18;2*1-3-5-19-10-11-20-14-30-27(35(19)20)23-6-4-7-26(32-23)33-28(36)21-13-25(17(2)12-22(21)29)34-15-24(31-16-34)18-8-9-18;1-3-18-9-10-19-13-29-26(34(18)19)22-5-4-6-25(31-22)32-27(35)20-12-24(16(2)11-21(20)28)33-14-23(30-15-33)17-7-8-17/h2*4-6,11-16,18,24H,7-10H2,1-3H3,(H,32,33,36);2*4,6-7,12-16,18-19H,3,5,8-11H2,1-2H3,(H,32,33,36);4-6,11-15,17-18H,3,7-10H2,1-2H3,(H,31,32,35)/t2*24-;2*19-;18-/m10100/s1.
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide?
5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide has a molecular weight of 2408.87 g/mol, XLogP of 29.30, 32 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5S)-5-ethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 159742724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).