2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile

C90H97Cl4FN10O8 — CID 157465494

IUPAC2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
SMILESCC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc1.CC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nn1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1ncc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C23H24ClFN2O2.C23H25ClN2O2.2C22H24ClN3O2/c1-14(2)23-21(25)10-17(13-27-23)22(28)9-15-3-6-18(7-4-15)29-19-8-5-16(12-26)20(24)11-19;1-15(2)18-6-10-22(26-14-18)23(27)11-16-3-7-19(8-4-16)28-20-9-5-17(13-25)21(24)12-20;1-14(2)20-12-26-21(13-25-20)22(27)9-15-3-6-17(7-4-15)28-18-8-5-16(11-24)19(23)10-18;1-14(2)20-9-10-21(26-25-20)22(27)11-15-3-6-17(7-4-15)28-18-8-5-16(13-24)19(23)12-18/h5,8,10-11,13-15,18H,3-4,6-7,9H2,1-2H3;5-6,9-10,12,14-16,19H,3-4,7-8,11H2,1-2H3;5,8,10,12-15,17H,3-4,6-7,9H2,1-2H3;5,8-10,12,14-15,17H,3-4,6-7,11H2,1-2H3
InChIKeyBUKRCDZPQQNLDK-UHFFFAOYSA-N
MW1607.64 g/mol
LogP22.69
Rot. Bonds24

About 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile

2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile (PubChem CID 157465494) has the molecular formula C90H97Cl4FN10O8 and a molecular weight of 1607.64 g/mol. Its IUPAC name is 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
PubChem CID157465494
Molecular FormulaC90H97Cl4FN10O8
Molecular Weight1607.64 g/mol
Exact Mass1604.62
IUPAC Name2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
SMILESCC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc1.CC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nn1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1ncc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C23H24ClFN2O2.C23H25ClN2O2.2C22H24ClN3O2/c1-14(2)23-21(25)10-17(13-27-23)22(28)9-15-3-6-18(7-4-15)29-19-8-5-16(12-26)20(24)11-19;1-15(2)18-6-10-22(26-14-18)23(27)11-16-3-7-19(8-4-16)28-20-9-5-17(13-25)21(24)12-20;1-14(2)20-12-26-21(13-25-20)22(27)9-15-3-6-17(7-4-15)28-18-8-5-16(11-24)19(23)10-18;1-14(2)20-9-10-21(26-25-20)22(27)11-15-3-6-17(7-4-15)28-18-8-5-16(13-24)19(23)12-18/h5,8,10-11,13-15,18H,3-4,6-7,9H2,1-2H3;5-6,9-10,12,14-16,19H,3-4,7-8,11H2,1-2H3;5,8,10,12-15,17H,3-4,6-7,9H2,1-2H3;5,8-10,12,14-15,17H,3-4,6-7,11H2,1-2H3
InChIKeyBUKRCDZPQQNLDK-UHFFFAOYSA-N
XLogP22.69
TPSA277.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.64
LogP ≤ 522.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile with MolForge

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Related Compounds

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile
CID 158402694
2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
CID 157403434
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide
CID 169022571
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
CID 135296500
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
4-[4-(2-bromoacetyl)cyclohexyl]oxy-2-chlorobenzonitrile
CID 134441275
2-chloropyrimidine-5-carboxamide;2-chloro-4-(2,2,4,4-tetramethylcyclobutyl)oxybenzonitrile
CID 176982931
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
N-[3-(4-cyano-3-ethoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 176983973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile?
The IUPAC name of 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile (CID 157465494) is 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile.
What is the SMILES notation for 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile?
The canonical SMILES for 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile is CC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc1.CC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nn1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1ncc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1F.
What is the InChIKey of 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile?
The InChIKey is BUKRCDZPQQNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O2.C23H25ClN2O2.2C22H24ClN3O2/c1-14(2)23-21(25)10-17(13-27-23)22(28)9-15-3-6-18(7-4-15)29-19-8-5-16(12-26)20(24)11-19;1-15(2)18-6-10-22(26-14-18)23(27)11-16-3-7-19(8-4-16)28-20-9-5-17(13-25)21(24)12-20;1-14(2)20-12-26-21(13-25-20)22(27)9-15-3-6-17(7-4-15)28-18-8-5-16(11-24)19(23)10-18;1-14(2)20-9-10-21(26-25-20)22(27)11-15-3-6-17(7-4-15)28-18-8-5-16(13-24)19(23)12-18/h5,8,10-11,13-15,18H,3-4,6-7,9H2,1-2H3;5-6,9-10,12,14-16,19H,3-4,7-8,11H2,1-2H3;5,8,10,12-15,17H,3-4,6-7,9H2,1-2H3;5,8-10,12,14-15,17H,3-4,6-7,11H2,1-2H3.
What are the key properties of 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile?
2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile has a molecular weight of 1607.64 g/mol, XLogP of 22.69, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 157465494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).