(2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol

C188H274N26O12 — CID 158563640

IUPAC(2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCC[C@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CC[C@H](NC[C@H](O)CO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nccc(N4CC[C@H](NC[C@H](O)CO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncnc(N4CCN(C(CO)CCCO)CC4)n3)ccc21.CN(CCO)CC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.C[C@@H](O)[C@H](N)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C29H41N3O2.C28H41N3O2.C28H41N3O.C27H40N4O.C26H39N5O2.2C25H36N4O2/c1-28(2)15-16-29(3,4)24-20-21(11-12-23(24)28)25-8-7-9-26(31-25)32-18-13-22(14-19-32)30-17-6-5-10-27(33)34;1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-16-11-21(12-17-31)29-15-10-22(33)19-32;1-27(2)13-14-28(3,4)24-19-22(9-10-23(24)27)25-7-6-8-26(29-25)31-15-11-21(12-16-31)20-30(5)17-18-32;1-19(32)23(28)18-30-13-15-31(16-14-30)25-8-6-7-24(29-25)20-9-10-21-22(17-20)27(4,5)12-11-26(21,2)3;1-25(2)9-10-26(3,4)22-16-19(7-8-21(22)25)23-27-18-28-24(29-23)31-13-11-30(12-14-31)20(17-33)6-5-15-32;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)23-26-11-7-22(28-23)29-12-8-18(15-29)27-14-19(31)16-30;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)22-7-11-26-23(28-22)29-12-8-18(15-29)27-14-19(31)16-30/h7-9,11-12,20,22,30H,5-6,10,13-19H2,1-4H3,(H,33,34);5-9,18,21-22,29,32-33H,10-17,19H2,1-4H3;6-10,19,21,32H,11-18,20H2,1-5H3;6-10,17,19,23,32H,11-16,18,28H2,1-5H3;7-8,16,18,20,32-33H,5-6,9-15,17H2,1-4H3;2*5-7,11,13,18-19,27,30-31H,8-10,12,14-16H2,1-4H3/t;22-;;19-,23-;;2*18-,19-/m.0.1.00/s1
InChIKeyHRETZXHQMVNFPD-SFGVOHESSA-N
MW3090.43 g/mol
LogP28.65
Rot. Bonds45

About (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol

(2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol (PubChem CID 158563640) has the molecular formula C188H274N26O12 and a molecular weight of 3090.43 g/mol. Its IUPAC name is (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol.

Molecular Properties

Compound Name(2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol
PubChem CID158563640
Molecular FormulaC188H274N26O12
Molecular Weight3090.43 g/mol
Exact Mass3088.16
IUPAC Name(2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCC[C@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CC[C@H](NC[C@H](O)CO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nccc(N4CC[C@H](NC[C@H](O)CO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncnc(N4CCN(C(CO)CCCO)CC4)n3)ccc21.CN(CCO)CC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.C[C@@H](O)[C@H](N)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C29H41N3O2.C28H41N3O2.C28H41N3O.C27H40N4O.C26H39N5O2.2C25H36N4O2/c1-28(2)15-16-29(3,4)24-20-21(11-12-23(24)28)25-8-7-9-26(31-25)32-18-13-22(14-19-32)30-17-6-5-10-27(33)34;1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-16-11-21(12-17-31)29-15-10-22(33)19-32;1-27(2)13-14-28(3,4)24-19-22(9-10-23(24)27)25-7-6-8-26(29-25)31-15-11-21(12-16-31)20-30(5)17-18-32;1-19(32)23(28)18-30-13-15-31(16-14-30)25-8-6-7-24(29-25)20-9-10-21-22(17-20)27(4,5)12-11-26(21,2)3;1-25(2)9-10-26(3,4)22-16-19(7-8-21(22)25)23-27-18-28-24(29-23)31-13-11-30(12-14-31)20(17-33)6-5-15-32;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)23-26-11-7-22(28-23)29-12-8-18(15-29)27-14-19(31)16-30;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)22-7-11-26-23(28-22)29-12-8-18(15-29)27-14-19(31)16-30/h7-9,11-12,20,22,30H,5-6,10,13-19H2,1-4H3,(H,33,34);5-9,18,21-22,29,32-33H,10-17,19H2,1-4H3;6-10,19,21,32H,11-18,20H2,1-5H3;6-10,17,19,23,32H,11-16,18,28H2,1-5H3;7-8,16,18,20,32-33H,5-6,9-15,17H2,1-4H3;2*5-7,11,13,18-19,27,30-31H,8-10,12,14-16H2,1-4H3/t;22-;;19-,23-;;2*18-,19-/m.0.1.00/s1
InChIKeyHRETZXHQMVNFPD-SFGVOHESSA-N
XLogP28.65
TPSA487.93 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds45
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003090.43
LogP ≤ 528.65
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol?
The IUPAC name of (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol (CID 158563640) is (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol.
What is the SMILES notation for (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol?
The canonical SMILES for (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCC[C@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CC[C@H](NC[C@H](O)CO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nccc(N4CC[C@H](NC[C@H](O)CO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncnc(N4CCN(C(CO)CCCO)CC4)n3)ccc21.CN(CCO)CC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.C[C@@H](O)[C@H](N)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.
What is the InChIKey of (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol?
The InChIKey is HRETZXHQMVNFPD-SFGVOHESSA-N. The full InChI is InChI=1S/C29H41N3O2.C28H41N3O2.C28H41N3O.C27H40N4O.C26H39N5O2.2C25H36N4O2/c1-28(2)15-16-29(3,4)24-20-21(11-12-23(24)28)25-8-7-9-26(31-25)32-18-13-22(14-19-32)30-17-6-5-10-27(33)34;1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-16-11-21(12-17-31)29-15-10-22(33)19-32;1-27(2)13-14-28(3,4)24-19-22(9-10-23(24)27)25-7-6-8-26(29-25)31-15-11-21(12-16-31)20-30(5)17-18-32;1-19(32)23(28)18-30-13-15-31(16-14-30)25-8-6-7-24(29-25)20-9-10-21-22(17-20)27(4,5)12-11-26(21,2)3;1-25(2)9-10-26(3,4)22-16-19(7-8-21(22)25)23-27-18-28-24(29-23)31-13-11-30(12-14-31)20(17-33)6-5-15-32;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)23-26-11-7-22(28-23)29-12-8-18(15-29)27-14-19(31)16-30;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)22-7-11-26-23(28-22)29-12-8-18(15-29)27-14-19(31)16-30/h7-9,11-12,20,22,30H,5-6,10,13-19H2,1-4H3,(H,33,34);5-9,18,21-22,29,32-33H,10-17,19H2,1-4H3;6-10,19,21,32H,11-18,20H2,1-5H3;6-10,17,19,23,32H,11-16,18,28H2,1-5H3;7-8,16,18,20,32-33H,5-6,9-15,17H2,1-4H3;2*5-7,11,13,18-19,27,30-31H,8-10,12,14-16H2,1-4H3/t;22-;;19-,23-;;2*18-,19-/m.0.1.00/s1.
What are the key properties of (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol?
(2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol has a molecular weight of 3090.43 g/mol, XLogP of 28.65, 45 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-2-ol;2-[methyl-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]methyl]amino]ethanol;(2S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,2-diol;5-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentanoic acid;(2S)-3-[[(3S)-1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;(2S)-3-[[(3S)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]propane-1,2-diol;2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]pentane-1,5-diol is sourced from PubChem (CID 158563640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).