4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C112H96F4N24O4 — CID 160649930

IUPAC4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCOc1cc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)ccc1F.Nc1ncccc1-c1nc2ccc(-c3cc4ccccc4o3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3ccc(O)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(OC(F)(F)F)c3)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C29H24N6O.C28H23F3N6O.C28H25FN6O.C27H24N6O/c30-26-21(6-3-16-32-26)27-34-23-13-12-22(25-17-18-5-1-2-7-24(18)36-25)33-28(23)35(27)20-10-8-19(9-11-20)29(31)14-4-15-29;29-28(30,31)38-20-5-1-4-17(16-20)22-11-12-23-26(35-22)37(25(36-23)21-6-2-15-34-24(21)32)19-9-7-18(8-10-19)27(33)13-3-14-27;1-36-24-16-17(5-10-21(24)29)22-11-12-23-27(33-22)35(26(34-23)20-4-2-15-32-25(20)30)19-8-6-18(7-9-19)28(31)13-3-14-28;28-24-21(3-1-16-30-24)25-32-23-13-12-22(17-4-10-20(34)11-5-17)31-26(23)33(25)19-8-6-18(7-9-19)27(29)14-2-15-27/h1-3,5-13,16-17H,4,14-15,31H2,(H2,30,32);1-2,4-12,15-16H,3,13-14,33H2,(H2,32,34);2,4-12,15-16H,3,13-14,31H2,1H3,(H2,30,32);1,3-13,16,34H,2,14-15,29H2,(H2,28,30)
InChIKeyRKHBBSSKSQXGBX-UHFFFAOYSA-N
MW1918.16 g/mol
LogP21.78
Rot. Bonds18

About 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 160649930) has the molecular formula C112H96F4N24O4 and a molecular weight of 1918.16 g/mol. Its IUPAC name is 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID160649930
Molecular FormulaC112H96F4N24O4
Molecular Weight1918.16 g/mol
Exact Mass1916.80
IUPAC Name4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCOc1cc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)ccc1F.Nc1ncccc1-c1nc2ccc(-c3cc4ccccc4o3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3ccc(O)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(OC(F)(F)F)c3)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C29H24N6O.C28H23F3N6O.C28H25FN6O.C27H24N6O/c30-26-21(6-3-16-32-26)27-34-23-13-12-22(25-17-18-5-1-2-7-24(18)36-25)33-28(23)35(27)20-10-8-19(9-11-20)29(31)14-4-15-29;29-28(30,31)38-20-5-1-4-17(16-20)22-11-12-23-26(35-22)37(25(36-23)21-6-2-15-34-24(21)32)19-9-7-18(8-10-19)27(33)13-3-14-27;1-36-24-16-17(5-10-21(24)29)22-11-12-23-27(33-22)35(26(34-23)20-4-2-15-32-25(20)30)19-8-6-18(7-9-19)28(31)13-3-14-28;28-24-21(3-1-16-30-24)25-32-23-13-12-22(17-4-10-20(34)11-5-17)31-26(23)33(25)19-8-6-18(7-9-19)27(29)14-2-15-27/h1-3,5-13,16-17H,4,14-15,31H2,(H2,30,32);1-2,4-12,15-16H,3,13-14,33H2,(H2,32,34);2,4-12,15-16H,3,13-14,31H2,1H3,(H2,30,32);1,3-13,16,34H,2,14-15,29H2,(H2,28,30)
InChIKeyRKHBBSSKSQXGBX-UHFFFAOYSA-N
XLogP21.78
TPSA434.39 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.16
LogP ≤ 521.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 157894266
6-[2-(2-Ethoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-phenylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-propan-2-yloxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157933949
5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 159390194
6-(4-benzylpiperazin-1-yl)-1,2-dimethylbenzimidazole;3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-[6-(dimethylamino)-3-pyridinyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-N-[1-[6-[5-(1-hydroxyethenyl)furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-(1-methylcyclobutyl)indole-6-carboxamide;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-(1-methyl-6-pyrimidin-5-ylbenzimidazol-2-yl)cyclobutyl]indole-6-carboxamide;3-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-2-methyl-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
CID 159602606
4-[[5-(4-acetamido-3-hydroxyphenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4,4-difluoropiperidin-1-yl)methanone;4-[2-[2-methoxy-4-(methylcarbamoyl)anilino]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyridine-2-carboxamide
CID 160579990
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;bis(8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)
CID 160828696
[4-[[4-[2-(2-Hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone;[4-[[4-[2-(2-imidazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone;7-[2-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-2,3-dihydroisoindol-1-one;1-[2-[2-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]ethanone
CID 161156286
1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 161168777
N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[5-(1-fluoroethoxy)-2-pyridinyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide
CID 161594955
8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;5-tert-butyl-2-(4-methoxyphenyl)-8aH-imidazo[1,2-a]pyridin-4-ium;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 162108580
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162253280

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 160649930) is 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is COc1cc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)ccc1F.Nc1ncccc1-c1nc2ccc(-c3cc4ccccc4o3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3ccc(O)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(OC(F)(F)F)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is RKHBBSSKSQXGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O.C28H23F3N6O.C28H25FN6O.C27H24N6O/c30-26-21(6-3-16-32-26)27-34-23-13-12-22(25-17-18-5-1-2-7-24(18)36-25)33-28(23)35(27)20-10-8-19(9-11-20)29(31)14-4-15-29;29-28(30,31)38-20-5-1-4-17(16-20)22-11-12-23-26(35-22)37(25(36-23)21-6-2-15-34-24(21)32)19-9-7-18(8-10-19)27(33)13-3-14-27;1-36-24-16-17(5-10-21(24)29)22-11-12-23-27(33-22)35(26(34-23)20-4-2-15-32-25(20)30)19-8-6-18(7-9-19)28(31)13-3-14-28;28-24-21(3-1-16-30-24)25-32-23-13-12-22(17-4-10-20(34)11-5-17)31-26(23)33(25)19-8-6-18(7-9-19)27(29)14-2-15-27/h1-3,5-13,16-17H,4,14-15,31H2,(H2,30,32);1-2,4-12,15-16H,3,13-14,33H2,(H2,32,34);2,4-12,15-16H,3,13-14,31H2,1H3,(H2,30,32);1,3-13,16,34H,2,14-15,29H2,(H2,28,30).
What are the key properties of 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 1918.16 g/mol, XLogP of 21.78, 18 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenol;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(1-benzofuran-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(4-fluoro-3-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 160649930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).