3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide

C205H296N24O13 — CID 159503040

IUPAC3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)CCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(=O)C5CNCCO5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CC(O)C(C)(C)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCC(CO)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H]5NCC[C@@H]5O)CC4)n3)ccc21
InChIInChI=1S/C32H47N3O3.C30H45N3O2.C29H40N4O2.C29H42N4O.C29H43N3O2.C28H40N4O.C28H39N3O2/c1-31(2)16-17-32(3,4)27-23-24(12-13-26(27)31)28-9-7-10-29(33-28)35-20-14-25(15-21-35)34(18-5-6-22-36)19-8-11-30(37)38;1-28(2)12-13-29(3,4)24-20-22(10-11-23(24)28)25-8-7-9-27(31-25)33-17-15-32(16-18-33)21-26(35)30(5,6)14-19-34;1-28(2)12-13-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-26(32-24)33-15-10-21(11-16-33)31-27(34)25-19-30-14-17-35-25;1-28(2)13-14-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-27(32-24)33-16-11-21(12-17-33)31-19-25-26(34)10-15-30-25;1-28(2)12-13-29(3,4)25-19-23(10-11-24(25)28)26-8-5-9-27(30-26)32-17-15-31(16-18-32)14-6-7-22(20-33)21-34;1-27(2)11-12-28(3,4)22-18-20(8-9-21(22)27)23-6-5-7-26(30-23)32-16-14-31(15-17-32)19-24-25(33)10-13-29-24;1-27(2)14-15-28(3,4)23-19-20(10-11-22(23)27)24-7-5-8-25(30-24)31-17-12-21(13-18-31)29-16-6-9-26(32)33/h7,9-10,12-13,23,25,36H,5-6,8,11,14-22H2,1-4H3,(H,37,38);7-11,20,26,34-35H,12-19,21H2,1-6H3;5-9,18,21,25,30H,10-17,19H2,1-4H3,(H,31,34);5-9,18,21,25-26,30-31,34H,10-17,19H2,1-4H3;5,8-11,19,22,33-34H,6-7,12-18,20-21H2,1-4H3;5-9,18,24-25,29,33H,10-17,19H2,1-4H3;5,7-8,10-11,19,21,29H,6,9,12-18H2,1-4H3,(H,32,33)/t;;;25-,26+;;24-,25+;/m...1.1./s1
InChIKeyLZQCKJHOEQOSLQ-FQDDIDJNSA-N
MW3304.78 g/mol
LogP33.61
Rot. Bonds46

About 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide

3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide (PubChem CID 159503040) has the molecular formula C205H296N24O13 and a molecular weight of 3304.78 g/mol. Its IUPAC name is 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide
PubChem CID159503040
Molecular FormulaC205H296N24O13
Molecular Weight3304.78 g/mol
Exact Mass3302.32
IUPAC Name3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)CCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(=O)C5CNCCO5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CC(O)C(C)(C)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCC(CO)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H]5NCC[C@@H]5O)CC4)n3)ccc21
InChIInChI=1S/C32H47N3O3.C30H45N3O2.C29H40N4O2.C29H42N4O.C29H43N3O2.C28H40N4O.C28H39N3O2/c1-31(2)16-17-32(3,4)27-23-24(12-13-26(27)31)28-9-7-10-29(33-28)35-20-14-25(15-21-35)34(18-5-6-22-36)19-8-11-30(37)38;1-28(2)12-13-29(3,4)24-20-22(10-11-23(24)28)25-8-7-9-27(31-25)33-17-15-32(16-18-33)21-26(35)30(5,6)14-19-34;1-28(2)12-13-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-26(32-24)33-15-10-21(11-16-33)31-27(34)25-19-30-14-17-35-25;1-28(2)13-14-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-27(32-24)33-16-11-21(12-17-33)31-19-25-26(34)10-15-30-25;1-28(2)12-13-29(3,4)25-19-23(10-11-24(25)28)26-8-5-9-27(30-26)32-17-15-31(16-18-32)14-6-7-22(20-33)21-34;1-27(2)11-12-28(3,4)22-18-20(8-9-21(22)27)23-6-5-7-26(30-23)32-16-14-31(15-17-32)19-24-25(33)10-13-29-24;1-27(2)14-15-28(3,4)23-19-20(10-11-22(23)27)24-7-5-8-25(30-24)31-17-12-21(13-18-31)29-16-6-9-26(32)33/h7,9-10,12-13,23,25,36H,5-6,8,11,14-22H2,1-4H3,(H,37,38);7-11,20,26,34-35H,12-19,21H2,1-6H3;5-9,18,21,25,30H,10-17,19H2,1-4H3,(H,31,34);5-9,18,21,25-26,30-31,34H,10-17,19H2,1-4H3;5,8-11,19,22,33-34H,6-7,12-18,20-21H2,1-4H3;5-9,18,24-25,29,33H,10-17,19H2,1-4H3;5,7-8,10-11,19,21,29H,6,9,12-18H2,1-4H3,(H,32,33)/t;;;25-,26+;;24-,25+;/m...1.1./s1
InChIKeyLZQCKJHOEQOSLQ-FQDDIDJNSA-N
XLogP33.61
TPSA440.56 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003304.78
LogP ≤ 533.61
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide (CID 159503040) is 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)CCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(=O)C5CNCCO5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NCCCC(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CC(O)C(C)(C)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCCC(CO)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.
What is the InChIKey of 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide?
The InChIKey is LZQCKJHOEQOSLQ-FQDDIDJNSA-N. The full InChI is InChI=1S/C32H47N3O3.C30H45N3O2.C29H40N4O2.C29H42N4O.C29H43N3O2.C28H40N4O.C28H39N3O2/c1-31(2)16-17-32(3,4)27-23-24(12-13-26(27)31)28-9-7-10-29(33-28)35-20-14-25(15-21-35)34(18-5-6-22-36)19-8-11-30(37)38;1-28(2)12-13-29(3,4)24-20-22(10-11-23(24)28)25-8-7-9-27(31-25)33-17-15-32(16-18-33)21-26(35)30(5,6)14-19-34;1-28(2)12-13-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-26(32-24)33-15-10-21(11-16-33)31-27(34)25-19-30-14-17-35-25;1-28(2)13-14-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-27(32-24)33-16-11-21(12-17-33)31-19-25-26(34)10-15-30-25;1-28(2)12-13-29(3,4)25-19-23(10-11-24(25)28)26-8-5-9-27(30-26)32-17-15-31(16-18-32)14-6-7-22(20-33)21-34;1-27(2)11-12-28(3,4)22-18-20(8-9-21(22)27)23-6-5-7-26(30-23)32-16-14-31(15-17-32)19-24-25(33)10-13-29-24;1-27(2)14-15-28(3,4)23-19-20(10-11-22(23)27)24-7-5-8-25(30-24)31-17-12-21(13-18-31)29-16-6-9-26(32)33/h7,9-10,12-13,23,25,36H,5-6,8,11,14-22H2,1-4H3,(H,37,38);7-11,20,26,34-35H,12-19,21H2,1-6H3;5-9,18,21,25,30H,10-17,19H2,1-4H3,(H,31,34);5-9,18,21,25-26,30-31,34H,10-17,19H2,1-4H3;5,8-11,19,22,33-34H,6-7,12-18,20-21H2,1-4H3;5-9,18,24-25,29,33H,10-17,19H2,1-4H3;5,7-8,10-11,19,21,29H,6,9,12-18H2,1-4H3,(H,32,33)/t;;;25-,26+;;24-,25+;/m...1.1./s1.
What are the key properties of 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide?
3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide has a molecular weight of 3304.78 g/mol, XLogP of 33.61, 46 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]pentane-1,4-diol;4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol;2-[3-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]propyl]propane-1,3-diol;4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butanoic acid;(2R,3S)-2-[[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrrolidin-3-ol;N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 159503040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).