1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine

C111H127N39O15S7 — CID 159731087

IUPAC1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine
SMILESCN(CCN1CCCC1)c1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.CN1CCC2C1CCN2c1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.CS(=O)(=O)c1cccc(-c2ccc(CCCN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CC(CN4CCCC4)C3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CC(S(C)(=O)=O)C3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CCC(O)C3)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C21H25N7O2S.C20H23N7O2S.C20H25N7O2S.C17H18N6O4S2.C17H18N6O3S.C16H18N6O2S/c1-31(29,30)18-6-4-5-17(20(18)21-23-25-26-24-21)16-7-8-19(22-11-16)28-13-15(14-28)12-27-9-2-3-10-27;1-26-10-8-16-15(26)9-11-27(16)18-7-6-13(12-21-18)14-4-3-5-17(30(2,28)29)19(14)20-22-24-25-23-20;1-26(12-13-27-10-3-4-11-27)18-9-8-15(14-21-18)16-6-5-7-17(30(2,28)29)19(16)20-22-24-25-23-20;1-28(24,25)12-9-23(10-12)15-7-6-11(8-18-15)13-4-3-5-14(29(2,26)27)16(13)17-19-21-22-20-17;1-27(25,26)14-4-2-3-13(16(14)17-19-21-22-20-17)11-5-6-15(18-9-11)23-8-7-12(24)10-23;1-25(23,24)14-6-2-5-13(15(14)16-19-21-22-20-16)11-7-8-12(18-10-11)4-3-9-17/h4-8,11,15H,2-3,9-10,12-14H2,1H3,(H,23,24,25,26);3-7,12,15-16H,8-11H2,1-2H3,(H,22,23,24,25);5-9,14H,3-4,10-13H2,1-2H3,(H,22,23,24,25);3-8,12H,9-10H2,1-2H3,(H,19,20,21,22);2-6,9,12,24H,7-8,10H2,1H3,(H,19,20,21,22);2,5-8,10H,3-4,9,17H2,1H3,(H,19,20,21,22)
InChIKeyNBFYMTQVAYSSGH-UHFFFAOYSA-N
MW2471.96 g/mol
LogP8.04
Rot. Bonds32

About 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine

1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine (PubChem CID 159731087) has the molecular formula C111H127N39O15S7 and a molecular weight of 2471.96 g/mol. Its IUPAC name is 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine
PubChem CID159731087
Molecular FormulaC111H127N39O15S7
Molecular Weight2471.96 g/mol
Exact Mass2469.84
IUPAC Name1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine
SMILESCN(CCN1CCCC1)c1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.CN1CCC2C1CCN2c1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.CS(=O)(=O)c1cccc(-c2ccc(CCCN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CC(CN4CCCC4)C3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CC(S(C)(=O)=O)C3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CCC(O)C3)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C21H25N7O2S.C20H23N7O2S.C20H25N7O2S.C17H18N6O4S2.C17H18N6O3S.C16H18N6O2S/c1-31(29,30)18-6-4-5-17(20(18)21-23-25-26-24-21)16-7-8-19(22-11-16)28-13-15(14-28)12-27-9-2-3-10-27;1-26-10-8-16-15(26)9-11-27(16)18-7-6-13(12-21-18)14-4-3-5-17(30(2,28)29)19(14)20-22-24-25-23-20;1-26(12-13-27-10-3-4-11-27)18-9-8-15(14-21-18)16-6-5-7-17(30(2,28)29)19(16)20-22-24-25-23-20;1-28(24,25)12-9-23(10-12)15-7-6-11(8-18-15)13-4-3-5-14(29(2,26)27)16(13)17-19-21-22-20-17;1-27(25,26)14-4-2-3-13(16(14)17-19-21-22-20-17)11-5-6-15(18-9-11)23-8-7-12(24)10-23;1-25(23,24)14-6-2-5-13(15(14)16-19-21-22-20-16)11-7-8-12(18-10-11)4-3-9-17/h4-8,11,15H,2-3,9-10,12-14H2,1H3,(H,23,24,25,26);3-7,12,15-16H,8-11H2,1-2H3,(H,22,23,24,25);5-9,14H,3-4,10-13H2,1-2H3,(H,22,23,24,25);3-8,12H,9-10H2,1-2H3,(H,19,20,21,22);2-6,9,12,24H,7-8,10H2,1H3,(H,19,20,21,22);2,5-8,10H,3-4,9,17H2,1H3,(H,19,20,21,22)
InChIKeyNBFYMTQVAYSSGH-UHFFFAOYSA-N
XLogP8.04
TPSA715.25 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002471.96
LogP ≤ 58.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Analyze 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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
1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine;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;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]ethanamine;(2R)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 157730258
1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol
CID 158136670
N,N-dimethyl-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-amine;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;2-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]propan-2-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-(pyrrolidin-3-ylmethyl)pyridine;N,N,3-trimethyl-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-3-amine
CID 159869947
2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;3-methyl-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-3-ol;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;[(2R)-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-2-yl]methanol
CID 160186464
3-methyl-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-3-ol;7-methyl-2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,7-diazaspiro[4.4]nonane;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;[(2R)-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-2-yl]methanol;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol
CID 160942971
N,N-dimethyl-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-amine;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]propan-2-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-(pyrrolidin-3-ylmethyl)pyridine;N,N,3-trimethyl-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-3-amine
CID 161681437

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine?
The IUPAC name of 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine (CID 159731087) is 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine.
What is the SMILES notation for 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine?
The canonical SMILES for 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine is CN(CCN1CCCC1)c1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.CN1CCC2C1CCN2c1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.CS(=O)(=O)c1cccc(-c2ccc(CCCN)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CC(CN4CCCC4)C3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CC(S(C)(=O)=O)C3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CCC(O)C3)nc2)c1-c1nn[nH]n1.
What is the InChIKey of 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine?
The InChIKey is NBFYMTQVAYSSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2S.C20H23N7O2S.C20H25N7O2S.C17H18N6O4S2.C17H18N6O3S.C16H18N6O2S/c1-31(29,30)18-6-4-5-17(20(18)21-23-25-26-24-21)16-7-8-19(22-11-16)28-13-15(14-28)12-27-9-2-3-10-27;1-26-10-8-16-15(26)9-11-27(16)18-7-6-13(12-21-18)14-4-3-5-17(30(2,28)29)19(14)20-22-24-25-23-20;1-26(12-13-27-10-3-4-11-27)18-9-8-15(14-21-18)16-6-5-7-17(30(2,28)29)19(16)20-22-24-25-23-20;1-28(24,25)12-9-23(10-12)15-7-6-11(8-18-15)13-4-3-5-14(29(2,26)27)16(13)17-19-21-22-20-17;1-27(25,26)14-4-2-3-13(16(14)17-19-21-22-20-17)11-5-6-15(18-9-11)23-8-7-12(24)10-23;1-25(23,24)14-6-2-5-13(15(14)16-19-21-22-20-16)11-7-8-12(18-10-11)4-3-9-17/h4-8,11,15H,2-3,9-10,12-14H2,1H3,(H,23,24,25,26);3-7,12,15-16H,8-11H2,1-2H3,(H,22,23,24,25);5-9,14H,3-4,10-13H2,1-2H3,(H,22,23,24,25);3-8,12H,9-10H2,1-2H3,(H,19,20,21,22);2-6,9,12,24H,7-8,10H2,1H3,(H,19,20,21,22);2,5-8,10H,3-4,9,17H2,1H3,(H,19,20,21,22).
What are the key properties of 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine?
1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine has a molecular weight of 2471.96 g/mol, XLogP of 8.04, 32 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine is sourced from PubChem (CID 159731087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).