tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid

C93H94F6N20O8 — CID 158183443

IUPACtert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid
SMILESCC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.Cn1cc(C#Cc2cnc3cccc(N4CCC(CC(=O)O)CC4)n23)cn1.FC(F)n1cc(-c2ccc(-c3cnc4cccc(OC5CCNCC5)n34)cc2)cn1
InChIInChI=1S/C27H29F2N5O3.C24H23F2N5O2.C22H21F2N5O.C20H21N5O2/c1-27(2,3)37-26(35)32-13-11-21(12-14-32)36-24-6-4-5-23-30-16-22(34(23)24)19-9-7-18(8-10-19)20-15-31-33(17-20)25(28)29;1-16(32)29-11-9-20(10-12-29)33-23-4-2-3-22-27-14-21(31(22)23)18-7-5-17(6-8-18)19-13-28-30(15-19)24(25)26;23-22(24)28-14-17(12-27-28)15-4-6-16(7-5-15)19-13-26-20-2-1-3-21(29(19)20)30-18-8-10-25-11-9-18;1-23-14-16(12-22-23)5-6-17-13-21-18-3-2-4-19(25(17)18)24-9-7-15(8-10-24)11-20(26)27/h4-10,15-17,21,25H,11-14H2,1-3H3;2-8,13-15,20,24H,9-12H2,1H3;1-7,12-14,18,22,25H,8-11H2;2-4,12-15H,7-11H2,1H3,(H,26,27)
InChIKeyFYWGFRIDAUDHKC-UHFFFAOYSA-N
MW1733.89 g/mol
LogP17.24
Rot. Bonds18

About tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid

tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid (PubChem CID 158183443) has the molecular formula C93H94F6N20O8 and a molecular weight of 1733.89 g/mol. Its IUPAC name is tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Nametert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid
PubChem CID158183443
Molecular FormulaC93H94F6N20O8
Molecular Weight1733.89 g/mol
Exact Mass1732.75
IUPAC Nametert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid
SMILESCC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.Cn1cc(C#Cc2cnc3cccc(N4CCC(CC(=O)O)CC4)n23)cn1.FC(F)n1cc(-c2ccc(-c3cnc4cccc(OC5CCNCC5)n34)cc2)cn1
InChIInChI=1S/C27H29F2N5O3.C24H23F2N5O2.C22H21F2N5O.C20H21N5O2/c1-27(2,3)37-26(35)32-13-11-21(12-14-32)36-24-6-4-5-23-30-16-22(34(23)24)19-9-7-18(8-10-19)20-15-31-33(17-20)25(28)29;1-16(32)29-11-9-20(10-12-29)33-23-4-2-3-22-27-14-21(31(22)23)18-7-5-17(6-8-18)19-13-28-30(15-19)24(25)26;23-22(24)28-14-17(12-27-28)15-4-6-16(7-5-15)19-13-26-20-2-1-3-21(29(19)20)30-18-8-10-25-11-9-18;1-23-14-16(12-22-23)5-6-17-13-21-18-3-2-4-19(25(17)18)24-9-7-15(8-10-24)11-20(26)27/h4-10,15-17,21,25H,11-14H2,1-3H3;2-8,13-15,20,24H,9-12H2,1H3;1-7,12-14,18,22,25H,8-11H2;2-4,12-15H,7-11H2,1H3,(H,26,27)
InChIKeyFYWGFRIDAUDHKC-UHFFFAOYSA-N
XLogP17.24
TPSA270.59 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.89
LogP ≤ 517.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid with MolForge

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Related Compounds

1-[3-[4-[1-[[5-(4,4-Difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-3-ethylpent-1-yn-3-ol
CID 149042896
2-(2-cyclopropyloxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-ethoxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157232025
Tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
CID 157237824
3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-phenylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 157242551
7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157288069
7-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-fluoro-6-methoxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-fluoro-6-propan-2-yloxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(6-methoxy-2-methyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157449834
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
1-[6-(dimethylamino)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2-piperidin-3-ylethanone;6-(2-hydroxyethylamino)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-6-[methyl(2-methylpropyl)amino]-N-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carboxamide;1-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)-2-piperidin-3-ylethanone;1-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-3-ylethanone;2-phenyl-1-(6-propan-2-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone;1-(6-propan-2-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
CID 157874743
2-[2-(difluoromethoxy)phenyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]purin-8-one
CID 158234807
(1S,5R)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158274742
3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 158278593
2-[2-(difluoromethoxy)-3-pyridinyl]-4-(methylamino)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[8-oxo-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-7-yl]propanoic acid
CID 158637672

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid?
The IUPAC name of tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid (CID 158183443) is tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid.
What is the SMILES notation for tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid?
The canonical SMILES for tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid is CC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.Cn1cc(C#Cc2cnc3cccc(N4CCC(CC(=O)O)CC4)n23)cn1.FC(F)n1cc(-c2ccc(-c3cnc4cccc(OC5CCNCC5)n34)cc2)cn1.
What is the InChIKey of tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid?
The InChIKey is FYWGFRIDAUDHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O3.C24H23F2N5O2.C22H21F2N5O.C20H21N5O2/c1-27(2,3)37-26(35)32-13-11-21(12-14-32)36-24-6-4-5-23-30-16-22(34(23)24)19-9-7-18(8-10-19)20-15-31-33(17-20)25(28)29;1-16(32)29-11-9-20(10-12-29)33-23-4-2-3-22-27-14-21(31(22)23)18-7-5-17(6-8-18)19-13-28-30(15-19)24(25)26;23-22(24)28-14-17(12-27-28)15-4-6-16(7-5-15)19-13-26-20-2-1-3-21(29(19)20)30-18-8-10-25-11-9-18;1-23-14-16(12-22-23)5-6-17-13-21-18-3-2-4-19(25(17)18)24-9-7-15(8-10-24)11-20(26)27/h4-10,15-17,21,25H,11-14H2,1-3H3;2-8,13-15,20,24H,9-12H2,1H3;1-7,12-14,18,22,25H,8-11H2;2-4,12-15H,7-11H2,1H3,(H,26,27).
What are the key properties of tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid?
tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid has a molecular weight of 1733.89 g/mol, XLogP of 17.24, 18 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxylate;1-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-piperidin-4-yloxyimidazo[1,2-a]pyridine;2-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 158183443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).