N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid

C123H139F12N25O16 — CID 165012553

IUPACN-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCC(=O)C1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CC(=O)C1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CCC1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CCC1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.Cc1cccc(C(=O)Nc2cn3cc(CCC(=O)O)nc3cc2N2CCC(C)(O)CC2)n1
InChIInChI=1S/C26H30F3N5O3.C26H32F3N5O2.C24H24F3N5O4.C24H26F3N5O3.C23H27N5O4/c1-16(35)17-8-11-33(12-9-17)21-13-23-30-18(7-10-25(2,3)37)14-34(23)15-20(21)32-24(36)19-5-4-6-22(31-19)26(27,28)29;1-4-17-9-12-33(13-10-17)21-14-23-30-18(8-11-25(2,3)36)15-34(23)16-20(21)32-24(35)19-6-5-7-22(31-19)26(27,28)29;1-14(33)15-7-9-31(10-8-15)19-11-21-28-16(5-6-22(34)35)12-32(21)13-18(19)30-23(36)17-3-2-4-20(29-17)24(25,26)27;1-2-15-8-10-31(11-9-15)19-12-21-28-16(6-7-22(33)34)13-32(21)14-18(19)30-23(35)17-4-3-5-20(29-17)24(25,26)27;1-15-4-3-5-17(24-15)22(31)26-18-14-28-13-16(6-7-21(29)30)25-20(28)12-19(18)27-10-8-23(2,32)9-11-27/h4-6,13-15,17,37H,7-12H2,1-3H3,(H,32,36);5-7,14-17,36H,4,8-13H2,1-3H3,(H,32,35);2-4,11-13,15H,5-10H2,1H3,(H,30,36)(H,34,35);3-5,12-15H,2,6-11H2,1H3,(H,30,35)(H,33,34);3-5,12-14,32H,6-11H2,1-2H3,(H,26,31)(H,29,30)
InChIKeyJXQOCUSWMUWHIL-UHFFFAOYSA-N
MW2451.60 g/mol
LogP20.97
Rot. Bonds34

About N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid

N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 165012553) has the molecular formula C123H139F12N25O16 and a molecular weight of 2451.60 g/mol. Its IUPAC name is N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound NameN-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID165012553
Molecular FormulaC123H139F12N25O16
Molecular Weight2451.60 g/mol
Exact Mass2450.06
IUPAC NameN-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCC(=O)C1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CC(=O)C1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CCC1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CCC1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.Cc1cccc(C(=O)Nc2cn3cc(CCC(=O)O)nc3cc2N2CCC(C)(O)CC2)n1
InChIInChI=1S/C26H30F3N5O3.C26H32F3N5O2.C24H24F3N5O4.C24H26F3N5O3.C23H27N5O4/c1-16(35)17-8-11-33(12-9-17)21-13-23-30-18(7-10-25(2,3)37)14-34(23)15-20(21)32-24(36)19-5-4-6-22(31-19)26(27,28)29;1-4-17-9-12-33(13-10-17)21-14-23-30-18(8-11-25(2,3)36)15-34(23)16-20(21)32-24(35)19-6-5-7-22(31-19)26(27,28)29;1-14(33)15-7-9-31(10-8-15)19-11-21-28-16(5-6-22(34)35)12-32(21)13-18(19)30-23(36)17-3-2-4-20(29-17)24(25,26)27;1-2-15-8-10-31(11-9-15)19-12-21-28-16(6-7-22(33)34)13-32(21)14-18(19)30-23(35)17-4-3-5-20(29-17)24(25,26)27;1-15-4-3-5-17(24-15)22(31)26-18-14-28-13-16(6-7-21(29)30)25-20(28)12-19(18)27-10-8-23(2,32)9-11-27/h4-6,13-15,17,37H,7-12H2,1-3H3,(H,32,36);5-7,14-17,36H,4,8-13H2,1-3H3,(H,32,35);2-4,11-13,15H,5-10H2,1H3,(H,30,36)(H,34,35);3-5,12-15H,2,6-11H2,1H3,(H,30,35)(H,33,34);3-5,12-14,32H,6-11H2,1-2H3,(H,26,31)(H,29,30)
InChIKeyJXQOCUSWMUWHIL-UHFFFAOYSA-N
XLogP20.97
TPSA519.38 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002451.60
LogP ≤ 520.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid with MolForge

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Related Compounds

1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330077
4-[6-amino-8-oxo-9-[(3R)-pyrrolidin-3-yl]purin-7-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[6-amino-8-oxo-7-[4-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]purin-9-yl]pyrrolidine-1-carboxylate
CID 157526957
2-Anilino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)piperidine-3-carboxylic acid;7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(propan-2-ylamino)purin-6-one;7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylamino)purin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 157628837
Azane;5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate
CID 157686056
Tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 157972960
(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158786459
Tert-butyl 2-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylic acid;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;methyl 2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 158985250
2-Anilino-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)piperidine-3-carboxylic acid;7-but-2-ynyl-1-methyl-8-piperidin-1-yl-2-(propan-2-ylamino)purin-6-one;7-but-2-ynyl-1-methyl-8-piperidin-1-yl-2-(pyridin-2-ylamino)purin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 159574973
Tert-butyl 2-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylic acid;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 159809586
3-[7-[4-(Hydroxymethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822090
3-[7-[4-(Aminomethyl)piperidin-1-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822092
N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164822099

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 165012553) is N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid is CC(=O)C1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CC(=O)C1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CCC1CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.CCC1CCN(c2cc3nc(CCC(C)(C)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.Cc1cccc(C(=O)Nc2cn3cc(CCC(=O)O)nc3cc2N2CCC(C)(O)CC2)n1.
What is the InChIKey of N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is JXQOCUSWMUWHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O3.C26H32F3N5O2.C24H24F3N5O4.C24H26F3N5O3.C23H27N5O4/c1-16(35)17-8-11-33(12-9-17)21-13-23-30-18(7-10-25(2,3)37)14-34(23)15-20(21)32-24(36)19-5-4-6-22(31-19)26(27,28)29;1-4-17-9-12-33(13-10-17)21-14-23-30-18(8-11-25(2,3)36)15-34(23)16-20(21)32-24(35)19-6-5-7-22(31-19)26(27,28)29;1-14(33)15-7-9-31(10-8-15)19-11-21-28-16(5-6-22(34)35)12-32(21)13-18(19)30-23(36)17-3-2-4-20(29-17)24(25,26)27;1-2-15-8-10-31(11-9-15)19-12-21-28-16(6-7-22(33)34)13-32(21)14-18(19)30-23(35)17-4-3-5-20(29-17)24(25,26)27;1-15-4-3-5-17(24-15)22(31)26-18-14-28-13-16(6-7-21(29)30)25-20(28)12-19(18)27-10-8-23(2,32)9-11-27/h4-6,13-15,17,37H,7-12H2,1-3H3,(H,32,36);5-7,14-17,36H,4,8-13H2,1-3H3,(H,32,35);2-4,11-13,15H,5-10H2,1H3,(H,30,36)(H,34,35);3-5,12-15H,2,6-11H2,1H3,(H,30,35)(H,33,34);3-5,12-14,32H,6-11H2,1-2H3,(H,26,31)(H,29,30).
What are the key properties of N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 2451.60 g/mol, XLogP of 20.97, 34 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-acetylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-acetylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;N-[7-(4-ethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-ethylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[(6-methylpyridine-2-carbonyl)amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 165012553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).