2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole

C117H100F3N49O22S9 — CID 158302297

IUPAC2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CS(=O)(=O)c1nccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3[nH]ncc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3c(c2)C(C(F)(F)F)=NC3)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3c(c2)OCC(=O)C3)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3cn[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2cccc(C(N)=O)c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H11F3N6O2S.C16H17N7O3S.C16H13N5O4S.2C14H11N7O2S.C14H14N6O4S2.C14H12N6O3S.C13H11N5O2S/c1-28(26,27)15-12(14-22-24-25-23-14)10(4-5-20-15)8-2-3-9-7-21-13(11(9)6-8)16(17,18)19;1-27(24,25)16-14(15-19-21-22-20-15)12(4-5-17-16)11-2-3-13(18-10-11)23-6-8-26-9-7-23;1-26(23,24)16-14(15-18-20-21-19-15)12(4-5-17-16)9-2-3-10-6-11(22)8-25-13(10)7-9;1-24(22,23)14-12(13-18-20-21-19-13)10(4-5-15-14)8-2-3-11-9(6-8)7-16-17-11;1-24(22,23)14-12(13-18-20-21-19-13)10(4-5-15-14)8-2-3-9-7-16-17-11(9)6-8;1-25(21,22)14-12(13-16-19-20-17-13)11(7-8-15-14)9-3-5-10(6-4-9)18-26(2,23)24;1-24(22,23)14-11(13-17-19-20-18-13)10(5-6-16-14)8-3-2-4-9(7-8)12(15)21;1-21(19,20)13-11(12-15-17-18-16-12)10(7-8-14-13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,22,23,24,25);2-5,10H,6-9H2,1H3,(H,19,20,21,22);2-5,7H,6,8H2,1H3,(H,18,19,20,21);2*2-7H,1H3,(H,16,17)(H,18,19,20,21);3-8,18H,1-2H3,(H,16,17,19,20);2-7H,1H3,(H2,15,21)(H,17,18,19,20);2-8H,1H3,(H,15,16,17,18)
InChIKeyGMQIFRFBWLSUMQ-UHFFFAOYSA-N
MW2890.00 g/mol
LogP8.48
Rot. Bonds28

About 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole

2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole (PubChem CID 158302297) has the molecular formula C117H100F3N49O22S9 and a molecular weight of 2890.00 g/mol. Its IUPAC name is 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole.

Molecular Properties

Compound Name2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole
PubChem CID158302297
Molecular FormulaC117H100F3N49O22S9
Molecular Weight2890.00 g/mol
Exact Mass2887.57
IUPAC Name2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CS(=O)(=O)c1nccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3[nH]ncc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3c(c2)C(C(F)(F)F)=NC3)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3c(c2)OCC(=O)C3)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3cn[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2cccc(C(N)=O)c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H11F3N6O2S.C16H17N7O3S.C16H13N5O4S.2C14H11N7O2S.C14H14N6O4S2.C14H12N6O3S.C13H11N5O2S/c1-28(26,27)15-12(14-22-24-25-23-14)10(4-5-20-15)8-2-3-9-7-21-13(11(9)6-8)16(17,18)19;1-27(24,25)16-14(15-19-21-22-20-15)12(4-5-17-16)11-2-3-13(18-10-11)23-6-8-26-9-7-23;1-26(23,24)16-14(15-18-20-21-19-15)12(4-5-17-16)9-2-3-10-6-11(22)8-25-13(10)7-9;1-24(22,23)14-12(13-18-20-21-19-13)10(4-5-15-14)8-2-3-11-9(6-8)7-16-17-11;1-24(22,23)14-12(13-18-20-21-19-13)10(4-5-15-14)8-2-3-9-7-16-17-11(9)6-8;1-25(21,22)14-12(13-16-19-20-17-13)11(7-8-15-14)9-3-5-10(6-4-9)18-26(2,23)24;1-24(22,23)14-11(13-17-19-20-18-13)10(5-6-16-14)8-3-2-4-9(7-8)12(15)21;1-21(19,20)13-11(12-15-17-18-16-12)10(7-8-14-13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,22,23,24,25);2-5,10H,6-9H2,1H3,(H,19,20,21,22);2-5,7H,6,8H2,1H3,(H,18,19,20,21);2*2-7H,1H3,(H,16,17)(H,18,19,20,21);3-8,18H,1-2H3,(H,16,17,19,20);2-7H,1H3,(H2,15,21)(H,17,18,19,20);2-8H,1H3,(H,15,16,17,18)
InChIKeyGMQIFRFBWLSUMQ-UHFFFAOYSA-N
XLogP8.48
TPSA1022.56 Ų
H-Bond Donors12
H-Bond Acceptors59
Rotatable Bonds28
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002890.00
LogP ≤ 58.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1059

Analyze 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N,N-dimethyl-4-propan-2-ylaniline;1-ethylsulfonyl-3-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-(propan-2-yloxymethyl)pyridine
CID 161997894
2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
CID 159495327
8-[4-(dimethylamino-methylidene-oxo-lambda6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-lambda6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine
CID 165035489
2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 165107399

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole?
The IUPAC name of 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole (CID 158302297) is 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole.
What is the SMILES notation for 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole?
The canonical SMILES for 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole is CS(=O)(=O)Nc1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CS(=O)(=O)c1nccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3[nH]ncc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3c(c2)C(C(F)(F)F)=NC3)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3c(c2)OCC(=O)C3)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3cn[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2cccc(C(N)=O)c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole?
The InChIKey is GMQIFRFBWLSUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O2S.C16H17N7O3S.C16H13N5O4S.2C14H11N7O2S.C14H14N6O4S2.C14H12N6O3S.C13H11N5O2S/c1-28(26,27)15-12(14-22-24-25-23-14)10(4-5-20-15)8-2-3-9-7-21-13(11(9)6-8)16(17,18)19;1-27(24,25)16-14(15-19-21-22-20-15)12(4-5-17-16)11-2-3-13(18-10-11)23-6-8-26-9-7-23;1-26(23,24)16-14(15-18-20-21-19-15)12(4-5-17-16)9-2-3-10-6-11(22)8-25-13(10)7-9;1-24(22,23)14-12(13-18-20-21-19-13)10(4-5-15-14)8-2-3-11-9(6-8)7-16-17-11;1-24(22,23)14-12(13-18-20-21-19-13)10(4-5-15-14)8-2-3-9-7-16-17-11(9)6-8;1-25(21,22)14-12(13-16-19-20-17-13)11(7-8-15-14)9-3-5-10(6-4-9)18-26(2,23)24;1-24(22,23)14-11(13-17-19-20-18-13)10(5-6-16-14)8-3-2-4-9(7-8)12(15)21;1-21(19,20)13-11(12-15-17-18-16-12)10(7-8-14-13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,22,23,24,25);2-5,10H,6-9H2,1H3,(H,19,20,21,22);2-5,7H,6,8H2,1H3,(H,18,19,20,21);2*2-7H,1H3,(H,16,17)(H,18,19,20,21);3-8,18H,1-2H3,(H,16,17,19,20);2-7H,1H3,(H2,15,21)(H,17,18,19,20);2-8H,1H3,(H,15,16,17,18).
What are the key properties of 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole?
2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole has a molecular weight of 2890.00 g/mol, XLogP of 8.48, 28 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole is sourced from PubChem (CID 158302297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).