1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine

C95H112F13N29O15S5 — CID 158761485

IUPAC1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine
SMILESCC(F)(F)c1ccc(N2CCC[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCCC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@@H]4CCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN3C(=O)OCC3C2)c1-c1nn[nH]n1
InChIInChI=1S/C27H32F3N5O2S.C25H29F3N6O2S.C15H15F3N6O4S.C14H18F2N6O4S.C14H18F2N6O3S/c1-38(36,37)25-23(27(28,29)30)12-11-22(24(25)26-31-33-34-32-26)21-9-7-19(8-10-21)20-13-15-35(16-14-20)17-18-5-3-2-4-6-18;1-37(35,36)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)18-6-4-16(5-7-18)17-10-13-34(14-11-17)15-19-3-2-12-29-19;1-29(26,27)12-9(15(16,17)18)2-3-10(11(12)13-19-21-22-20-13)23-4-5-24-8(6-23)7-28-14(24)25;1-14(15,16)9-2-3-10(22-5-7(23)4-8(24)6-22)11(12(9)27(17,25)26)13-18-20-21-19-13;1-14(15,16)9-4-5-10(22-6-2-3-8(23)7-22)11(12(9)26(17,24)25)13-18-20-21-19-13/h7-12,18,20H,2-6,13-17H2,1H3,(H,31,32,33,34);4-9,17,19,29H,2-3,10-15H2,1H3,(H,30,31,32,33);2-3,8H,4-7H2,1H3,(H,19,20,21,22);2-3,7-8,23-24H,4-6H2,1H3,(H2,17,25,26)(H,18,19,20,21);4-5,8,23H,2-3,6-7H2,1H3,(H2,17,24,25)(H,18,19,20,21)/t;19-;;7-,8-;8-/m.0.11/s1
InChIKeyIOSPBPRCSYGMRS-FSCOABHESA-N
MW2307.44 g/mol
LogP10.68
Rot. Bonds23

About 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine

1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine (PubChem CID 158761485) has the molecular formula C95H112F13N29O15S5 and a molecular weight of 2307.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine
PubChem CID158761485
Molecular FormulaC95H112F13N29O15S5
Molecular Weight2307.44 g/mol
Exact Mass2305.73
IUPAC Name1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine
SMILESCC(F)(F)c1ccc(N2CCC[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCCC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@@H]4CCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN3C(=O)OCC3C2)c1-c1nn[nH]n1
InChIInChI=1S/C27H32F3N5O2S.C25H29F3N6O2S.C15H15F3N6O4S.C14H18F2N6O4S.C14H18F2N6O3S/c1-38(36,37)25-23(27(28,29)30)12-11-22(24(25)26-31-33-34-32-26)21-9-7-19(8-10-21)20-13-15-35(16-14-20)17-18-5-3-2-4-6-18;1-37(35,36)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)18-6-4-16(5-7-18)17-10-13-34(14-11-17)15-19-3-2-12-29-19;1-29(26,27)12-9(15(16,17)18)2-3-10(11(12)13-19-21-22-20-13)23-4-5-24-8(6-23)7-28-14(24)25;1-14(15,16)9-2-3-10(22-5-7(23)4-8(24)6-22)11(12(9)27(17,25)26)13-18-20-21-19-13;1-14(15,16)9-4-5-10(22-6-2-3-8(23)7-22)11(12(9)26(17,24)25)13-18-20-21-19-13/h7-12,18,20H,2-6,13-17H2,1H3,(H,31,32,33,34);4-9,17,19,29H,2-3,10-15H2,1H3,(H,30,31,32,33);2-3,8H,4-7H2,1H3,(H,19,20,21,22);2-3,7-8,23-24H,4-6H2,1H3,(H2,17,25,26)(H,18,19,20,21);4-5,8,23H,2-3,6-7H2,1H3,(H2,17,24,25)(H,18,19,20,21)/t;19-;;7-,8-;8-/m.0.11/s1
InChIKeyIOSPBPRCSYGMRS-FSCOABHESA-N
XLogP10.68
TPSA613.50 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002307.44
LogP ≤ 510.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine with MolForge

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Related Compounds

6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 159951437
3-[(4aR,8aS)-2,3,4,4a,5,6,8,8a-octahydropyrano[2,3-c]pyridin-7-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2-azaspiro[5.5]undecan-2-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[(1-cyclopentylcyclopropyl)methyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,8-diazaspiro[4.5]decan-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2,9-diazaspiro[5.5]undecan-9-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(3-piperidin-4-ylpyrrolidin-1-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 160461328
2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol
CID 161201016
3-(4-cyclohexylpiperidin-1-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[6-[(1-cyclopentylcyclopropyl)methyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;6-methyl-3-(4-methylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;9-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane;4-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperidine
CID 161244117
(4aR,8aS)-7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,3,4,4a,5,6,8,8a-octahydropyrano[2,3-c]pyridine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2-azaspiro[5.5]undecane;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]propan-1-ol;1-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]pyrrolidin-3-amine;1-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 162102915

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine?
The IUPAC name of 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine (CID 158761485) is 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine is CC(F)(F)c1ccc(N2CCC[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCCC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@@H]4CCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN3C(=O)OCC3C2)c1-c1nn[nH]n1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine?
The InChIKey is IOSPBPRCSYGMRS-FSCOABHESA-N. The full InChI is InChI=1S/C27H32F3N5O2S.C25H29F3N6O2S.C15H15F3N6O4S.C14H18F2N6O4S.C14H18F2N6O3S/c1-38(36,37)25-23(27(28,29)30)12-11-22(24(25)26-31-33-34-32-26)21-9-7-19(8-10-21)20-13-15-35(16-14-20)17-18-5-3-2-4-6-18;1-37(35,36)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)18-6-4-16(5-7-18)17-10-13-34(14-11-17)15-19-3-2-12-29-19;1-29(26,27)12-9(15(16,17)18)2-3-10(11(12)13-19-21-22-20-13)23-4-5-24-8(6-23)7-28-14(24)25;1-14(15,16)9-2-3-10(22-5-7(23)4-8(24)6-22)11(12(9)27(17,25)26)13-18-20-21-19-13;1-14(15,16)9-4-5-10(22-6-2-3-8(23)7-22)11(12(9)26(17,24)25)13-18-20-21-19-13/h7-12,18,20H,2-6,13-17H2,1H3,(H,31,32,33,34);4-9,17,19,29H,2-3,10-15H2,1H3,(H,30,31,32,33);2-3,8H,4-7H2,1H3,(H,19,20,21,22);2-3,7-8,23-24H,4-6H2,1H3,(H2,17,25,26)(H,18,19,20,21);4-5,8,23H,2-3,6-7H2,1H3,(H2,17,24,25)(H,18,19,20,21)/t;19-;;7-,8-;8-/m.0.11/s1.
What are the key properties of 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine?
1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine has a molecular weight of 2307.44 g/mol, XLogP of 10.68, 23 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine is sourced from PubChem (CID 158761485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).