2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)

C140H152Cl5N19O12 — CID 159960093

IUPAC2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)
SMILESCC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnc(N)c4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4cnn(CC(=O)O)c4)c3C#N)c(Cl)c2)CC(C)(C)N1.CNCc1cccc(Oc2ccc(C(=O)CC3CC(C)(C)NC(C)(C)C3)cc2Cl)c1C#N
InChIInChI=1S/C29H31ClN4O4.C29H31ClN4O2.2C28H29ClN4O2.C26H32ClN3O2/c1-28(2)12-18(13-29(3,4)33-28)10-24(35)19-8-9-26(23(30)11-19)38-25-7-5-6-21(22(25)14-31)20-15-32-34(16-20)17-27(36)37;1-28(2)15-18(16-29(3,4)34-28)12-24(35)20-8-9-26(23(30)13-20)36-25-7-5-6-21(22(25)17-31)19-10-11-33-27(32)14-19;2*1-27(2)14-18(15-28(3,4)33-27)12-24(34)19-8-9-26(23(29)13-19)35-25-7-5-6-21(22(25)16-30)20-10-11-31-32-17-20;1-25(2)13-17(14-26(3,4)30-25)11-22(31)18-9-10-24(21(27)12-18)32-23-8-6-7-19(16-29-5)20(23)15-28/h5-9,11,15-16,18,33H,10,12-13,17H2,1-4H3,(H,36,37);5-11,13-14,18,34H,12,15-16H2,1-4H3,(H2,32,33);2*5-11,13,17-18,33H,12,14-15H2,1-4H3;6-10,12,17,29-30H,11,13-14,16H2,1-5H3
InChIKeyODFIQEPWMOKKME-UHFFFAOYSA-N
MW2470.14 g/mol
LogP31.89
Rot. Bonds33

About 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)

2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile) (PubChem CID 159960093) has the molecular formula C140H152Cl5N19O12 and a molecular weight of 2470.14 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile).

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)
PubChem CID159960093
Molecular FormulaC140H152Cl5N19O12
Molecular Weight2470.14 g/mol
Exact Mass2466.03
IUPAC Name2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)
SMILESCC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnc(N)c4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4cnn(CC(=O)O)c4)c3C#N)c(Cl)c2)CC(C)(C)N1.CNCc1cccc(Oc2ccc(C(=O)CC3CC(C)(C)NC(C)(C)C3)cc2Cl)c1C#N
InChIInChI=1S/C29H31ClN4O4.C29H31ClN4O2.2C28H29ClN4O2.C26H32ClN3O2/c1-28(2)12-18(13-29(3,4)33-28)10-24(35)19-8-9-26(23(30)11-19)38-25-7-5-6-21(22(25)14-31)20-15-32-34(16-20)17-27(36)37;1-28(2)15-18(16-29(3,4)34-28)12-24(35)20-8-9-26(23(30)13-20)36-25-7-5-6-21(22(25)17-31)19-10-11-33-27(32)14-19;2*1-27(2)14-18(15-28(3,4)33-27)12-24(34)19-8-9-26(23(29)13-19)35-25-7-5-6-21(22(25)16-30)20-10-11-31-32-17-20;1-25(2)13-17(14-26(3,4)30-25)11-22(31)18-9-10-24(21(27)12-18)32-23-8-6-7-19(16-29-5)20(23)15-28/h5-9,11,15-16,18,33H,10,12-13,17H2,1-4H3,(H,36,37);5-11,13-14,18,34H,12,15-16H2,1-4H3,(H2,32,33);2*5-11,13,17-18,33H,12,14-15H2,1-4H3;6-10,12,17,29-30H,11,13-14,16H2,1-5H3
InChIKeyODFIQEPWMOKKME-UHFFFAOYSA-N
XLogP31.89
TPSA468.22 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002470.14
LogP ≤ 531.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)?
The IUPAC name of 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile) (CID 159960093) is 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile).
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile) is CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnc(N)c4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1.CC1(C)CC(CC(=O)c2ccc(Oc3cccc(-c4cnn(CC(=O)O)c4)c3C#N)c(Cl)c2)CC(C)(C)N1.CNCc1cccc(Oc2ccc(C(=O)CC3CC(C)(C)NC(C)(C)C3)cc2Cl)c1C#N.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)?
The InChIKey is ODFIQEPWMOKKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O4.C29H31ClN4O2.2C28H29ClN4O2.C26H32ClN3O2/c1-28(2)12-18(13-29(3,4)33-28)10-24(35)19-8-9-26(23(30)11-19)38-25-7-5-6-21(22(25)14-31)20-15-32-34(16-20)17-27(36)37;1-28(2)15-18(16-29(3,4)34-28)12-24(35)20-8-9-26(23(30)13-20)36-25-7-5-6-21(22(25)17-31)19-10-11-33-27(32)14-19;2*1-27(2)14-18(15-28(3,4)33-27)12-24(34)19-8-9-26(23(29)13-19)35-25-7-5-6-21(22(25)16-30)20-10-11-31-32-17-20;1-25(2)13-17(14-26(3,4)30-25)11-22(31)18-9-10-24(21(27)12-18)32-23-8-6-7-19(16-29-5)20(23)15-28/h5-9,11,15-16,18,33H,10,12-13,17H2,1-4H3,(H,36,37);5-11,13-14,18,34H,12,15-16H2,1-4H3,(H2,32,33);2*5-11,13,17-18,33H,12,14-15H2,1-4H3;6-10,12,17,29-30H,11,13-14,16H2,1-5H3.
What are the key properties of 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile)?
2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile) has a molecular weight of 2470.14 g/mol, XLogP of 31.89, 33 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-6-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile;2-[4-[3-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-2-cyanophenyl]pyrazol-1-yl]acetic acid;2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-(methylaminomethyl)benzonitrile;bis(2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridazin-4-ylbenzonitrile) is sourced from PubChem (CID 159960093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).