6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid

C128H148N8O25S2 — CID 159320898

IUPAC6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
SMILES[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)s1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cn1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)nc1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)s1)C(C)C
InChIInChI=1S/3C26H30N2O5.2C25H29NO5S/c2*1-19(2)28(26(31)22-14-13-20(17-27-22)23-11-8-16-33-23)18-21-9-5-6-10-24(21)32-15-7-3-4-12-25(29)30;1-19(2)28(26(31)20-13-14-22(27-17-20)24-11-8-16-33-24)18-21-9-5-6-10-23(21)32-15-7-3-4-12-25(29)30;2*1-18(2)26(25(29)23-14-13-22(32-23)21-11-8-16-31-21)17-19-9-5-6-10-20(19)30-15-7-3-4-12-24(27)28/h3*5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,29,30);2*5-6,8-11,13-14,16,18H,3-4,7,12,15,17H2,1-2H3,(H,27,28)/i19D;2*18D2;18D;17D2
InChIKeyLDTCWCHZVHNFQE-PAZABXDFSA-N
MW2270.81 g/mol
LogP28.41
Rot. Bonds60

About 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid

6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid (PubChem CID 159320898) has the molecular formula C128H148N8O25S2 and a molecular weight of 2270.81 g/mol. Its IUPAC name is 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid.

Molecular Properties

Compound Name6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
PubChem CID159320898
Molecular FormulaC128H148N8O25S2
Molecular Weight2270.81 g/mol
Exact Mass2269.05
IUPAC Name6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
SMILES[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)s1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cn1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)nc1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)s1)C(C)C
InChIInChI=1S/3C26H30N2O5.2C25H29NO5S/c2*1-19(2)28(26(31)22-14-13-20(17-27-22)23-11-8-16-33-23)18-21-9-5-6-10-24(21)32-15-7-3-4-12-25(29)30;1-19(2)28(26(31)20-13-14-22(27-17-20)24-11-8-16-33-24)18-21-9-5-6-10-23(21)32-15-7-3-4-12-25(29)30;2*1-18(2)26(25(29)23-14-13-22(32-23)21-11-8-16-31-21)17-19-9-5-6-10-20(19)30-15-7-3-4-12-24(27)28/h3*5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,29,30);2*5-6,8-11,13-14,16,18H,3-4,7,12,15,17H2,1-2H3,(H,27,28)/i19D;2*18D2;18D;17D2
InChIKeyLDTCWCHZVHNFQE-PAZABXDFSA-N
XLogP28.41
TPSA438.57 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds60
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002270.81
LogP ≤ 528.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid with MolForge

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Related Compounds

2-(1-Benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde
CID 157445772
4-[2-[4-cyano-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]-2,2-dimethylbutanoic acid;4-[2-[4-cyano-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]-2,2-dimethylbutanoic acid;4-[2-(5-hydroxyhex-5-enoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carbonitrile;4-[2-(5-oxohexan-2-yloxy)phenyl]-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carbonitrile
CID 158471295
7-[2-[4-hydroxy-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]heptan-2-one;7-[2-[4-hydroxy-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]heptan-2-one;4-[2-(6-oxoheptoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carbonitrile;4-[2-(6-oxoheptoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carbonitrile
CID 158697077
5-[2-[4-fluoro-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]pentan-2-one;4-[2-(3-hydroxy-2,2-dimethylbut-3-enoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carbonitrile;4-[2-(3-hydroxy-2,2-dimethylbut-3-enoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carbonitrile;5-[2-[4-methoxy-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]pentan-2-one
CID 159265906
3-[4-hydroxy-4-(2-methoxyphenyl)-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-2-yl]propanoic acid;3-[4-(2-methoxyphenyl)-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-2-yl]propanoic acid;(3S)-3-propan-2-yl-6-[2-[1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]hexan-2-one
CID 159705756
2,2-dimethyl-5-[2-[1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]pentanoic acid;[(2R,3S)-3-[4-hydroxy-4-[2-(3-hydroxy-2,2-dimethylbut-3-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[4-hydroxy-4-[2-(5-hydroxy-4,4-dimethylhex-5-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[4-hydroxy-4-[2-(5-hydroxyhex-5-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 160617361
tert-butyl (E)-3-thiophen-3-ylprop-2-enoate;(2S)-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-(thiophen-3-ylmethyl)pentyl]-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 160848728
tert-butyl (E)-3-thiophen-2-ylprop-2-enoate;(2S)-1-[(2S,4S)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-(thiophen-2-ylmethyl)pentyl]-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 161203929
[(2R,3S)-3-[4-[2-(5-hydroxy-4,4-dimethylhex-5-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[(2R,3S)-3-[4-hydroxy-4-[2-(3-hydroxy-2,2-dimethylbut-3-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[4-hydroxy-4-[2-(5-hydroxyhex-5-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-[4-hydroxy-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]-2-methylbutanoic acid
CID 161269598
4-[2-[4-cyano-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]-2,2-dimethylbutanoic acid;4-[2-[4-cyano-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]-2,2-dimethylbutanoic acid;4-[2-(5-hydroxyhex-5-enoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carbonitrile;4-[2-(5-oxohexan-2-yloxy)phenyl]-1-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carbonitrile
CID 161417155
2-(1-Benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 161467917
6-[2-[[2-Deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
CID 121270186

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?
The IUPAC name of 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid (CID 159320898) is 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid.
What is the SMILES notation for 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?
The canonical SMILES for 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid is [2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)s1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cn1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)nc1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)s1)C(C)C.
What is the InChIKey of 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?
The InChIKey is LDTCWCHZVHNFQE-PAZABXDFSA-N. The full InChI is InChI=1S/3C26H30N2O5.2C25H29NO5S/c2*1-19(2)28(26(31)22-14-13-20(17-27-22)23-11-8-16-33-23)18-21-9-5-6-10-24(21)32-15-7-3-4-12-25(29)30;1-19(2)28(26(31)20-13-14-22(27-17-20)24-11-8-16-33-24)18-21-9-5-6-10-23(21)32-15-7-3-4-12-25(29)30;2*1-18(2)26(25(29)23-14-13-22(32-23)21-11-8-16-31-21)17-19-9-5-6-10-20(19)30-15-7-3-4-12-24(27)28/h3*5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,29,30);2*5-6,8-11,13-14,16,18H,3-4,7,12,15,17H2,1-2H3,(H,27,28)/i19D;2*18D2;18D;17D2.
What are the key properties of 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?
6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid has a molecular weight of 2270.81 g/mol, XLogP of 28.41, 60 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)pyridine-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)thiophene-2-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 159320898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).