N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine

C119H106F5N21O5 — CID 160709509

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(N)noc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3onc(N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CN5CCC4CC5)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CN5CCC4CC5)c3c2)ccc1F
InChIInChI=1S/3C27H26FN5O.2C19H14FN3O/c1-17-13-19(4-6-22(17)28)26-21(3-2-10-29-26)20-5-7-25-30-14-24(33(25)15-20)27(34)31-23-16-32-11-8-18(23)9-12-32;2*1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32;1-11-9-13(4-6-16(11)20)18-14(3-2-8-22-18)12-5-7-17-15(10-12)19(21)23-24-17;1-11-9-13(5-7-16(11)20)18-14(3-2-8-22-18)12-4-6-15-17(10-12)24-23-19(15)21/h2-7,10,13-15,18,23H,8-9,11-12,16H2,1H3,(H,31,34);2*2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34);2*2-10H,1H3,(H2,21,23)/t23-;2*24-;;/m010../s1
InChIKeyRRQXZTGPWVSMBJ-KTTXPAJBSA-N
MW2005.29 g/mol
LogP22.18
Rot. Bonds16

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine (PubChem CID 160709509) has the molecular formula C119H106F5N21O5 and a molecular weight of 2005.29 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
PubChem CID160709509
Molecular FormulaC119H106F5N21O5
Molecular Weight2005.29 g/mol
Exact Mass2003.86
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(N)noc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3onc(N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CN5CCC4CC5)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CN5CCC4CC5)c3c2)ccc1F
InChIInChI=1S/3C27H26FN5O.2C19H14FN3O/c1-17-13-19(4-6-22(17)28)26-21(3-2-10-29-26)20-5-7-25-30-14-24(33(25)15-20)27(34)31-23-16-32-11-8-18(23)9-12-32;2*1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32;1-11-9-13(4-6-16(11)20)18-14(3-2-8-22-18)12-5-7-17-15(10-12)19(21)23-24-17;1-11-9-13(5-7-16(11)20)18-14(3-2-8-22-18)12-4-6-15-17(10-12)24-23-19(15)21/h2-7,10,13-15,18,23H,8-9,11-12,16H2,1H3,(H,31,34);2*2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34);2*2-10H,1H3,(H2,21,23)/t23-;2*24-;;/m010../s1
InChIKeyRRQXZTGPWVSMBJ-KTTXPAJBSA-N
XLogP22.18
TPSA317.47 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.29
LogP ≤ 522.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine with MolForge

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Related Compounds

6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one
CID 129157606
1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139543540
6-[(1S)-3-[5-[8-fluoro-3-[(1S)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]-1-[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one
CID 143835101
N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157312253
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 158004900
N,N-dimethyl-3-[[6-methyl-7-(2-pyrazolo[1,5-a]pyrimidin-3-ylethynyl)-1,2-benzoxazol-3-yl]methyl]aniline;7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-3-[[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[[3-methyl-5-(piperidin-1-ylmethyl)phenyl]methyl]-1,2-benzoxazole
CID 158210941
3-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-7-(2-pyrazolo[1,5-a][1,3,5]triazin-8-ylethynyl)-1,2-benzoxazole;3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-7-(2-pyrazolo[1,5-c]pyrimidin-3-ylethynyl)-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-7-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]-1,2-benzoxazole;6-methyl-7-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-3-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 158247019
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
3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2-pyrrolidin-1-ylethyl)-1,2-benzoxazol-6-amine
CID 158313099
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-[[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-6-methyl-1,2-benzoxazole;N-[[3-[[7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 158470085
3-[2-[(3,3-difluorocyclobutyl)amino]prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[1-(6-methylidene-1H-pyridin-3-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 158926049

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine (CID 160709509) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine is Cc1cc(-c2ncccc2-c2ccc3c(N)noc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N[C@H]4CN5CCC4CC5)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3onc(N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CN5CCC4CC5)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CN5CCC4CC5)c3c2)ccc1F.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The InChIKey is RRQXZTGPWVSMBJ-KTTXPAJBSA-N. The full InChI is InChI=1S/3C27H26FN5O.2C19H14FN3O/c1-17-13-19(4-6-22(17)28)26-21(3-2-10-29-26)20-5-7-25-30-14-24(33(25)15-20)27(34)31-23-16-32-11-8-18(23)9-12-32;2*1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32;1-11-9-13(4-6-16(11)20)18-14(3-2-8-22-18)12-5-7-17-15(10-12)19(21)23-24-17;1-11-9-13(5-7-16(11)20)18-14(3-2-8-22-18)12-4-6-15-17(10-12)24-23-19(15)21/h2-7,10,13-15,18,23H,8-9,11-12,16H2,1H3,(H,31,34);2*2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34);2*2-10H,1H3,(H2,21,23)/t23-;2*24-;;/m010../s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine has a molecular weight of 2005.29 g/mol, XLogP of 22.18, 16 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 160709509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).