(2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol

C195H285N23O13 — CID 158282682

IUPAC(2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(=O)[C@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(CO)CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H](O)CCO)CC4)n3)ccc21
InChIInChI=1S/C29H43N3O2.C28H40N4O2.C28H42N4O.2C28H41N3O2.2C27H39N3O2/c1-28(2)14-15-29(3,4)25-19-21(10-11-24(25)28)26-8-5-9-27(31-26)32-16-12-22(13-17-32)30-23(20-34)7-6-18-33;1-27(2)13-14-28(3,4)22-18-19(8-9-21(22)27)24-6-5-7-25(31-24)32-15-10-20(11-16-32)30-26(34)23(29)12-17-33;1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(31-25)32-15-10-22(11-16-32)30-19-21(29)12-17-33;2*1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-15-10-21(11-16-31)29-19-22(33)12-17-32;2*1-26(2)11-12-27(3,4)23-18-20(8-9-22(23)26)24-6-5-7-25(28-24)30-15-13-29(14-16-30)19-21(32)10-17-31/h5,8-11,19,22-23,30,33-34H,6-7,12-18,20H2,1-4H3;5-9,18,20,23,33H,10-17,29H2,1-4H3,(H,30,34);5-9,18,21-22,30,33H,10-17,19,29H2,1-4H3;2*5-9,18,21-22,29,32-33H,10-17,19H2,1-4H3;2*5-9,18,21,31-32H,10-17,19H2,1-4H3/t;23-;21-;2*22-;2*21-/m.111010/s1
InChIKeyGKKBMRGADAJWKB-CBKZFTKVSA-N
MW3159.57 g/mol
LogP29.77
Rot. Bonds47

About (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol

(2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol (PubChem CID 158282682) has the molecular formula C195H285N23O13 and a molecular weight of 3159.57 g/mol. Its IUPAC name is (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol.

Molecular Properties

Compound Name(2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol
PubChem CID158282682
Molecular FormulaC195H285N23O13
Molecular Weight3159.57 g/mol
Exact Mass3157.23
IUPAC Name(2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(=O)[C@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(CO)CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H](O)CCO)CC4)n3)ccc21
InChIInChI=1S/C29H43N3O2.C28H40N4O2.C28H42N4O.2C28H41N3O2.2C27H39N3O2/c1-28(2)14-15-29(3,4)25-19-21(10-11-24(25)28)26-8-5-9-27(31-26)32-16-12-22(13-17-32)30-23(20-34)7-6-18-33;1-27(2)13-14-28(3,4)22-18-19(8-9-21(22)27)24-6-5-7-25(31-24)32-15-10-20(11-16-32)30-26(34)23(29)12-17-33;1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(31-25)32-15-10-22(11-16-32)30-19-21(29)12-17-33;2*1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-15-10-21(11-16-31)29-19-22(33)12-17-32;2*1-26(2)11-12-27(3,4)23-18-20(8-9-22(23)26)24-6-5-7-25(28-24)30-15-13-29(14-16-30)19-21(32)10-17-31/h5,8-11,19,22-23,30,33-34H,6-7,12-18,20H2,1-4H3;5-9,18,20,23,33H,10-17,29H2,1-4H3,(H,30,34);5-9,18,21-22,30,33H,10-17,19,29H2,1-4H3;2*5-9,18,21-22,29,32-33H,10-17,19H2,1-4H3;2*5-9,18,21,31-32H,10-17,19H2,1-4H3/t;23-;21-;2*22-;2*21-/m.111010/s1
InChIKeyGKKBMRGADAJWKB-CBKZFTKVSA-N
XLogP29.77
TPSA491.41 Ų
H-Bond Donors19
H-Bond Acceptors35
Rotatable Bonds47
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003159.57
LogP ≤ 529.77
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1035

Analyze (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol?
The IUPAC name of (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol (CID 158282682) is (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol.
What is the SMILES notation for (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol?
The canonical SMILES for (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(=O)[C@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(CO)CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC[C@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@@H](O)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(C[C@H](O)CCO)CC4)n3)ccc21.
What is the InChIKey of (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol?
The InChIKey is GKKBMRGADAJWKB-CBKZFTKVSA-N. The full InChI is InChI=1S/C29H43N3O2.C28H40N4O2.C28H42N4O.2C28H41N3O2.2C27H39N3O2/c1-28(2)14-15-29(3,4)25-19-21(10-11-24(25)28)26-8-5-9-27(31-26)32-16-12-22(13-17-32)30-23(20-34)7-6-18-33;1-27(2)13-14-28(3,4)22-18-19(8-9-21(22)27)24-6-5-7-25(31-24)32-15-10-20(11-16-32)30-26(34)23(29)12-17-33;1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(31-25)32-15-10-22(11-16-32)30-19-21(29)12-17-33;2*1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-15-10-21(11-16-31)29-19-22(33)12-17-32;2*1-26(2)11-12-27(3,4)23-18-20(8-9-22(23)26)24-6-5-7-25(28-24)30-15-13-29(14-16-30)19-21(32)10-17-31/h5,8-11,19,22-23,30,33-34H,6-7,12-18,20H2,1-4H3;5-9,18,20,23,33H,10-17,29H2,1-4H3,(H,30,34);5-9,18,21-22,30,33H,10-17,19,29H2,1-4H3;2*5-9,18,21-22,29,32-33H,10-17,19H2,1-4H3;2*5-9,18,21,31-32H,10-17,19H2,1-4H3/t;23-;21-;2*22-;2*21-/m.111010/s1.
What are the key properties of (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol?
(2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol has a molecular weight of 3159.57 g/mol, XLogP of 29.77, 47 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(3R)-3-amino-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(3S)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butane-1,3-diol;(3R)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;(3S)-4-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butane-1,3-diol;2-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]pentane-1,5-diol is sourced from PubChem (CID 158282682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).