7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine

C85H85N33O11S5 — CID 158724577

IUPAC7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine
SMILESCN1CCN(c2cc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)ccn2)CC1.CS(=O)(=O)c1cccc(-c2ccc(-n3cccn3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCCN3CCOCC3)nc2)c1-c1nn[nH]n1.Cc1cc2nccn2cc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.Cc1nnc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn12
InChIInChI=1S/C20H24N6O3S.C18H21N7O2S.C16H13N7O2S.C16H14N6O2S.C15H13N7O2S/c1-30(27,28)18-6-2-5-17(19(18)20-22-24-25-23-20)15-7-8-16(21-14-15)4-3-9-26-10-12-29-13-11-26;1-24-8-10-25(11-9-24)16-12-13(6-7-19-16)14-4-3-5-15(28(2,26)27)17(14)18-20-22-23-21-18;1-26(24,25)13-5-2-4-12(15(13)16-19-21-22-20-16)11-6-7-14(17-10-11)23-9-3-8-18-23;1-10-8-14-17-6-7-22(14)9-12(10)11-4-3-5-13(25(2,23)24)15(11)16-18-20-21-19-16;1-9-16-17-13-7-6-10(8-22(9)13)11-4-3-5-12(25(2,23)24)14(11)15-18-20-21-19-15/h2,5-8,14H,3-4,9-13H2,1H3,(H,22,23,24,25);3-7,12H,8-11H2,1-2H3,(H,20,21,22,23);2-10H,1H3,(H,19,20,21,22);3-9H,1-2H3,(H,18,19,20,21);3-8H,1-2H3,(H,18,19,20,21)
InChIKeyIKIJJLFNFJIUQZ-UHFFFAOYSA-N
MW1905.17 g/mol
LogP7.38
Rot. Bonds21

About 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine

7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine (PubChem CID 158724577) has the molecular formula C85H85N33O11S5 and a molecular weight of 1905.17 g/mol. Its IUPAC name is 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine.

Molecular Properties

Compound Name7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine
PubChem CID158724577
Molecular FormulaC85H85N33O11S5
Molecular Weight1905.17 g/mol
Exact Mass1903.57
IUPAC Name7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine
SMILESCN1CCN(c2cc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)ccn2)CC1.CS(=O)(=O)c1cccc(-c2ccc(-n3cccn3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCCN3CCOCC3)nc2)c1-c1nn[nH]n1.Cc1cc2nccn2cc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.Cc1nnc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn12
InChIInChI=1S/C20H24N6O3S.C18H21N7O2S.C16H13N7O2S.C16H14N6O2S.C15H13N7O2S/c1-30(27,28)18-6-2-5-17(19(18)20-22-24-25-23-20)15-7-8-16(21-14-15)4-3-9-26-10-12-29-13-11-26;1-24-8-10-25(11-9-24)16-12-13(6-7-19-16)14-4-3-5-15(28(2,26)27)17(14)18-20-22-23-21-18;1-26(24,25)13-5-2-4-12(15(13)16-19-21-22-20-16)11-6-7-14(17-10-11)23-9-3-8-18-23;1-10-8-14-17-6-7-22(14)9-12(10)11-4-3-5-13(25(2,23)24)15(11)16-18-20-21-19-16;1-9-16-17-13-7-6-10(8-22(9)13)11-4-3-5-12(25(2,23)24)14(11)15-18-20-21-19-15/h2,5-8,14H,3-4,9-13H2,1H3,(H,22,23,24,25);3-7,12H,8-11H2,1-2H3,(H,20,21,22,23);2-10H,1H3,(H,19,20,21,22);3-9H,1-2H3,(H,18,19,20,21);3-8H,1-2H3,(H,18,19,20,21)
InChIKeyIKIJJLFNFJIUQZ-UHFFFAOYSA-N
XLogP7.38
TPSA565.93 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds21
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.17
LogP ≤ 57.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine with MolForge

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Related Compounds

Diethyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-lambda4-sulfane;ethyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-methylidene-lambda6-sulfane;[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane;2-[2-ethylsulfonyl-4-[(4-methylidene-1,4-oxathian-4-ylidene)amino]phenyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-lambda4-sulfane;[5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane
CID 157948543
4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;2-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-5-pyridin-3-ylpyridine;2-propan-2-yl-5-pyridin-4-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-yl-7H-pyrrolo[3,4-b]pyridine
CID 159625555
diethyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-lambda4-sulfane;ethyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-methylidene-lambda6-sulfane;[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane;2-[2-ethylsulfonyl-4-[(4-methylidene-1,4-oxathian-4-ylidene)amino]phenyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[3-ethylsulfonyl-5-(1,4-oxathian-4-ylideneamino)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;[5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane;[5-ethylsulfonyl-6-[6-(trifluoromethyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-lambda4-sulfane;methane
CID 161001849
Cyclopropyl-[[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]imino]-methyl-oxo-lambda6-sulfane;6-[2-ethylsulfanyl-4-[(4-methylidene-1,4-oxathian-4-ylidene)amino]phenyl]-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;6-[2-ethylsulfonyl-4-[(4-methylidene-1,4-oxathian-4-ylidene)amino]phenyl]-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;6-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]imino-dimethyl-oxo-lambda6-sulfane
CID 161875859
N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[5-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 167682626
1,2-Bis[8-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(3-morpholin-4-ylphenyl)hydrazine
CID 68793661
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate
CID 87151569
4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 157275543
7-(1H-isoindol-4-yl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;2-[1-[[8-(1H-isoindol-4-yl)-6-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperidin-4-yl]propan-2-ol;3-[(4-methylpiperazin-1-yl)methyl]-8-[5-(methylsulfonylmethyl)-3-pyridinyl]-6-piperidin-1-ylimidazo[1,2-a]pyrazine;2-[1-[[8-[5-(methylsulfonylmethyl)-3-pyridinyl]-6-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperidin-4-yl]propan-2-ol
CID 157323016
1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane
CID 157410265
1-[(1-methylimidazol-2-yl)methyl]-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine;1-[(3-methylimidazol-4-yl)methyl]-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine;(2R)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;2-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-3-yl]propan-2-ol;N-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]acetamide;[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 157485019
5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine
CID 157486252

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine?
The IUPAC name of 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine (CID 158724577) is 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine.
What is the SMILES notation for 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine?
The canonical SMILES for 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine is CN1CCN(c2cc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)ccn2)CC1.CS(=O)(=O)c1cccc(-c2ccc(-n3cccn3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(CCCN3CCOCC3)nc2)c1-c1nn[nH]n1.Cc1cc2nccn2cc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.Cc1nnc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn12.
What is the InChIKey of 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine?
The InChIKey is IKIJJLFNFJIUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S.C18H21N7O2S.C16H13N7O2S.C16H14N6O2S.C15H13N7O2S/c1-30(27,28)18-6-2-5-17(19(18)20-22-24-25-23-20)15-7-8-16(21-14-15)4-3-9-26-10-12-29-13-11-26;1-24-8-10-25(11-9-24)16-12-13(6-7-19-16)14-4-3-5-15(28(2,26)27)17(14)18-20-22-23-21-18;1-26(24,25)13-5-2-4-12(15(13)16-19-21-22-20-16)11-6-7-14(17-10-11)23-9-3-8-18-23;1-10-8-14-17-6-7-22(14)9-12(10)11-4-3-5-13(25(2,23)24)15(11)16-18-20-21-19-16;1-9-16-17-13-7-6-10(8-22(9)13)11-4-3-5-12(25(2,23)24)14(11)15-18-20-21-19-15/h2,5-8,14H,3-4,9-13H2,1H3,(H,22,23,24,25);3-7,12H,8-11H2,1-2H3,(H,20,21,22,23);2-10H,1H3,(H,19,20,21,22);3-9H,1-2H3,(H,18,19,20,21);3-8H,1-2H3,(H,18,19,20,21).
What are the key properties of 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine?
7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine has a molecular weight of 1905.17 g/mol, XLogP of 7.38, 21 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine is sourced from PubChem (CID 158724577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).