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

C128H147N39O16S6 — CID 157485019

IUPAC1-[(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
SMILESCC(=O)NC1CCN(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn2)C1.CC(C)(O)C1CN(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn2)C1.CS(=O)(=O)c1cccc(-c2ccc(C3CCN(C[C@H]4CNCCO4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CCC(CO)C3)nc2)c1-c1nn[nH]n1.Cn1ccnc1CN1CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.Cn1cncc1CN1CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/2C24H27N7O2S.C24H30N6O3S.C19H21N7O3S.C19H22N6O3S.C18H20N6O3S/c1-30-15-12-25-22(30)16-31-13-10-18(11-14-31)17-6-8-19(9-7-17)20-4-3-5-21(34(2,32)33)23(20)24-26-28-29-27-24;1-30-16-25-14-20(30)15-31-12-10-18(11-13-31)17-6-8-19(9-7-17)21-4-3-5-22(34(2,32)33)23(21)24-26-28-29-27-24;1-34(31,32)22-4-2-3-21(23(22)24-26-28-29-27-24)19-7-5-17(6-8-19)18-9-12-30(13-10-18)16-20-15-25-11-14-33-20;1-12(27)21-14-8-9-26(11-14)17-7-6-13(10-20-17)15-4-3-5-16(30(2,28)29)18(15)19-22-24-25-23-19;1-19(2,26)13-10-25(11-13)16-8-7-12(9-20-16)14-5-4-6-15(29(3,27)28)17(14)18-21-23-24-22-18;1-28(26,27)15-4-2-3-14(17(15)18-20-22-23-21-18)13-5-6-16(19-9-13)24-8-7-12(10-24)11-25/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,26,27,28,29);3-9,14,16,18H,10-13,15H2,1-2H3,(H,26,27,28,29);2-8,18,20,25H,9-16H2,1H3,(H,26,27,28,29);3-7,10,14H,8-9,11H2,1-2H3,(H,21,27)(H,22,23,24,25);4-9,13,26H,10-11H2,1-3H3,(H,21,22,23,24);2-6,9,12,25H,7-8,10-11H2,1H3,(H,20,21,22,23)/t;;20-;;;/m..1.../s1
InChIKeyBWPMBKOCLOSSRC-HRKAIKAZSA-N
MW2680.24 g/mol
LogP11.94
Rot. Bonds33

About 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

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 (PubChem CID 157485019) has the molecular formula C128H147N39O16S6 and a molecular weight of 2680.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID157485019
Molecular FormulaC128H147N39O16S6
Molecular Weight2680.24 g/mol
Exact Mass2678.02
IUPAC Name1-[(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
SMILESCC(=O)NC1CCN(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn2)C1.CC(C)(O)C1CN(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn2)C1.CS(=O)(=O)c1cccc(-c2ccc(C3CCN(C[C@H]4CNCCO4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CCC(CO)C3)nc2)c1-c1nn[nH]n1.Cn1ccnc1CN1CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.Cn1cncc1CN1CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/2C24H27N7O2S.C24H30N6O3S.C19H21N7O3S.C19H22N6O3S.C18H20N6O3S/c1-30-15-12-25-22(30)16-31-13-10-18(11-14-31)17-6-8-19(9-7-17)20-4-3-5-21(34(2,32)33)23(20)24-26-28-29-27-24;1-30-16-25-14-20(30)15-31-12-10-18(11-13-31)17-6-8-19(9-7-17)21-4-3-5-22(34(2,32)33)23(21)24-26-28-29-27-24;1-34(31,32)22-4-2-3-21(23(22)24-26-28-29-27-24)19-7-5-17(6-8-19)18-9-12-30(13-10-18)16-20-15-25-11-14-33-20;1-12(27)21-14-8-9-26(11-14)17-7-6-13(10-20-17)15-4-3-5-16(30(2,28)29)18(15)19-22-24-25-23-19;1-19(2,26)13-10-25(11-13)16-8-7-12(9-20-16)14-5-4-6-15(29(3,27)28)17(14)18-21-23-24-22-18;1-28(26,27)15-4-2-3-14(17(15)18-20-22-23-21-18)13-5-6-16(19-9-13)24-8-7-12(10-24)11-25/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,26,27,28,29);3-9,14,16,18H,10-13,15H2,1-2H3,(H,26,27,28,29);2-8,18,20,25H,9-16H2,1H3,(H,26,27,28,29);3-7,10,14H,8-9,11H2,1-2H3,(H,21,27)(H,22,23,24,25);4-9,13,26H,10-11H2,1-3H3,(H,21,22,23,24);2-6,9,12,25H,7-8,10-11H2,1H3,(H,20,21,22,23)/t;;20-;;;/m..1.../s1
InChIKeyBWPMBKOCLOSSRC-HRKAIKAZSA-N
XLogP11.94
TPSA716.17 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds33
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002680.24
LogP ≤ 511.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]piperazine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 157905789
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
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
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
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
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-[(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC1CCN(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn2)C1.CC(C)(O)C1CN(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cn2)C1.CS(=O)(=O)c1cccc(-c2ccc(C3CCN(C[C@H]4CNCCO4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc(N3CCC(CO)C3)nc2)c1-c1nn[nH]n1.Cn1ccnc1CN1CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.Cn1cncc1CN1CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is BWPMBKOCLOSSRC-HRKAIKAZSA-N. The full InChI is InChI=1S/2C24H27N7O2S.C24H30N6O3S.C19H21N7O3S.C19H22N6O3S.C18H20N6O3S/c1-30-15-12-25-22(30)16-31-13-10-18(11-14-31)17-6-8-19(9-7-17)20-4-3-5-21(34(2,32)33)23(20)24-26-28-29-27-24;1-30-16-25-14-20(30)15-31-12-10-18(11-13-31)17-6-8-19(9-7-17)21-4-3-5-22(34(2,32)33)23(21)24-26-28-29-27-24;1-34(31,32)22-4-2-3-21(23(22)24-26-28-29-27-24)19-7-5-17(6-8-19)18-9-12-30(13-10-18)16-20-15-25-11-14-33-20;1-12(27)21-14-8-9-26(11-14)17-7-6-13(10-20-17)15-4-3-5-16(30(2,28)29)18(15)19-22-24-25-23-19;1-19(2,26)13-10-25(11-13)16-8-7-12(9-20-16)14-5-4-6-15(29(3,27)28)17(14)18-21-23-24-22-18;1-28(26,27)15-4-2-3-14(17(15)18-20-22-23-21-18)13-5-6-16(19-9-13)24-8-7-12(10-24)11-25/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,26,27,28,29);3-9,14,16,18H,10-13,15H2,1-2H3,(H,26,27,28,29);2-8,18,20,25H,9-16H2,1H3,(H,26,27,28,29);3-7,10,14H,8-9,11H2,1-2H3,(H,21,27)(H,22,23,24,25);4-9,13,26H,10-11H2,1-3H3,(H,21,22,23,24);2-6,9,12,25H,7-8,10-11H2,1H3,(H,20,21,22,23)/t;;20-;;;/m..1.../s1.
What are the key properties of 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?
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 has a molecular weight of 2680.24 g/mol, XLogP of 11.94, 33 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157485019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).