4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine

C110H104N32O3S5 — CID 161012940

IUPAC4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
SMILESCOc1cccc(-c2nc(-c3ccnc(NC(C)=O)c3)sc2-c2ncc[nH]2)c1.Cc1nc2ccc(CCCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nc2ccc(CCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(N3CCOCC3)nc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnn(C)c2C)c(C2=NCC=N2)s1
InChIInChI=1S/C25H26N6S.C24H24N6S.C22H20N8OS.C20H17N5O2S.C19H17N7S/c1-17-22(31-16-18(8-4-3-7-13-26)11-12-20(31)29-17)25-30-21(19-9-5-2-6-10-19)23(32-25)24-27-14-15-28-24;1-16-21(30-15-17(7-5-6-12-25)10-11-19(30)28-16)24-29-20(18-8-3-2-4-9-18)22(31-24)23-26-13-14-27-23;1-14-18(16-4-2-3-7-30(16)28-14)22-26-19(20(32-22)21-24-13-25-27-21)15-5-6-17(23-12-15)29-8-10-31-11-9-29;1-12(26)24-16-11-14(6-7-21-16)20-25-17(13-4-3-5-15(10-13)27-2)18(28-20)19-22-8-9-23-19;1-11-15(14-6-4-5-9-26(14)24-11)19-23-16(13-10-22-25(3)12(13)2)17(27-19)18-20-7-8-21-18/h2,5-6,9-12,14-16H,3-4,7-8,13,26H2,1H3,(H,27,28);2-4,8-11,13-15H,5-7,12,25H2,1H3,(H,26,27);2-7,12-13H,8-11H2,1H3,(H,24,25,27);3-11H,1-2H3,(H,22,23)(H,21,24,26);4-7,9-10H,8H2,1-3H3
InChIKeyTXJAZUUAKDPQOR-UHFFFAOYSA-N
MW2082.60 g/mol
LogP21.58
Rot. Bonds27

About 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine

4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine (PubChem CID 161012940) has the molecular formula C110H104N32O3S5 and a molecular weight of 2082.60 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
PubChem CID161012940
Molecular FormulaC110H104N32O3S5
Molecular Weight2082.60 g/mol
Exact Mass2080.76
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
SMILESCOc1cccc(-c2nc(-c3ccnc(NC(C)=O)c3)sc2-c2ncc[nH]2)c1.Cc1nc2ccc(CCCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nc2ccc(CCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(N3CCOCC3)nc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnn(C)c2C)c(C2=NCC=N2)s1
InChIInChI=1S/C25H26N6S.C24H24N6S.C22H20N8OS.C20H17N5O2S.C19H17N7S/c1-17-22(31-16-18(8-4-3-7-13-26)11-12-20(31)29-17)25-30-21(19-9-5-2-6-10-19)23(32-25)24-27-14-15-28-24;1-16-21(30-15-17(7-5-6-12-25)10-11-19(30)28-16)24-29-20(18-8-3-2-4-9-18)22(31-24)23-26-13-14-27-23;1-14-18(16-4-2-3-7-30(16)28-14)22-26-19(20(32-22)21-24-13-25-27-21)15-5-6-17(23-12-15)29-8-10-31-11-9-29;1-12(26)24-16-11-14(6-7-21-16)20-25-17(13-4-3-5-15(10-13)27-2)18(28-20)19-22-8-9-23-19;1-11-15(14-6-4-5-9-26(14)24-11)19-23-16(13-10-22-25(3)12(13)2)17(27-19)18-20-7-8-21-18/h2,5-6,9-12,14-16H,3-4,7-8,13,26H2,1H3,(H,27,28);2-4,8-11,13-15H,5-7,12,25H2,1H3,(H,26,27);2-7,12-13H,8-11H2,1H3,(H,24,25,27);3-11H,1-2H3,(H,22,23)(H,21,24,26);4-7,9-10H,8H2,1-3H3
InChIKeyTXJAZUUAKDPQOR-UHFFFAOYSA-N
XLogP21.58
TPSA432.42 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.60
LogP ≤ 521.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

2-[3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-4-methyl-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,3-thiazole
CID 156321655
bis(1H-benzimidazole);5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyridin-3-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 158030834
1H-benzimidazole;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;2H-isoindole;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 158043085
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;5-(1H-imidazol-2-yl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole;4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
CID 158377509
3-(indolizin-7-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-pyridin-4-yltriazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(4-methoxyphenyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(thieno[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158886850
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
CID 159652200
N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;4,5-dimethyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;4-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine
CID 159662883
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;N,N-dimethylpyridin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;2-ethyl-6-methoxypyridine;3-ethylpyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyridine;2H-indene;1H-indole;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 161254517
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[3-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
CID 161508256
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;3-ethylpyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);4-methoxypyridine;2-methylpyrazine;2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 161692321
3-(indolizin-7-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-pyridin-4-yltriazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(4-methoxyphenyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(thieno[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 161995099
2-[3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1H-pyrazol-5-yl]-5-[(1S,4S)-5-(oxan-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,3-thiazole
CID 156320706

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine (CID 161012940) is 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine is COc1cccc(-c2nc(-c3ccnc(NC(C)=O)c3)sc2-c2ncc[nH]2)c1.Cc1nc2ccc(CCCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nc2ccc(CCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(N3CCOCC3)nc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnn(C)c2C)c(C2=NCC=N2)s1.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?
The InChIKey is TXJAZUUAKDPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6S.C24H24N6S.C22H20N8OS.C20H17N5O2S.C19H17N7S/c1-17-22(31-16-18(8-4-3-7-13-26)11-12-20(31)29-17)25-30-21(19-9-5-2-6-10-19)23(32-25)24-27-14-15-28-24;1-16-21(30-15-17(7-5-6-12-25)10-11-19(30)28-16)24-29-20(18-8-3-2-4-9-18)22(31-24)23-26-13-14-27-23;1-14-18(16-4-2-3-7-30(16)28-14)22-26-19(20(32-22)21-24-13-25-27-21)15-5-6-17(23-12-15)29-8-10-31-11-9-29;1-12(26)24-16-11-14(6-7-21-16)20-25-17(13-4-3-5-15(10-13)27-2)18(28-20)19-22-8-9-23-19;1-11-15(14-6-4-5-9-26(14)24-11)19-23-16(13-10-22-25(3)12(13)2)17(27-19)18-20-7-8-21-18/h2,5-6,9-12,14-16H,3-4,7-8,13,26H2,1H3,(H,27,28);2-4,8-11,13-15H,5-7,12,25H2,1H3,(H,26,27);2-7,12-13H,8-11H2,1H3,(H,24,25,27);3-11H,1-2H3,(H,22,23)(H,21,24,26);4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?
4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine has a molecular weight of 2082.60 g/mol, XLogP of 21.58, 27 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 161012940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).