2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine

C38H38F3N7O5 — CID 90026106

IUPAC2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine
SMILESCC[C@@H]1CN(c2ccc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)CN1.CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)c(C4CC4)c3)nc2)C1=O
InChIInChI=1S/C20H18N4O3.C18H20F3N3O2/c1-2-17-19(25)24(20(26)23-17)14-6-8-18(22-11-14)27-15-7-5-13(10-21)16(9-15)12-3-4-12;1-3-13-10-24(11-23-13)14-5-7-17(22-9-14)25-15-6-4-12(2)16(8-15)26-18(19,20)21/h5-9,11-12,17H,2-4H2,1H3,(H,23,26);4-9,13,23H,3,10-11H2,1-2H3/t17-;13-/m11/s1
InChIKeyMXIOUZQIUKHPPT-GFJIOCRJSA-N
MW729.76 g/mol
LogP7.68
Rot. Bonds10

About 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine

2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine (PubChem CID 90026106) has the molecular formula C38H38F3N7O5 and a molecular weight of 729.76 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine
PubChem CID90026106
Molecular FormulaC38H38F3N7O5
Molecular Weight729.76 g/mol
Exact Mass729.29
IUPAC Name2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine
SMILESCC[C@@H]1CN(c2ccc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)CN1.CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)c(C4CC4)c3)nc2)C1=O
InChIInChI=1S/C20H18N4O3.C18H20F3N3O2/c1-2-17-19(25)24(20(26)23-17)14-6-8-18(22-11-14)27-15-7-5-13(10-21)16(9-15)12-3-4-12;1-3-13-10-24(11-23-13)14-5-7-17(22-9-14)25-15-6-4-12(2)16(8-15)26-18(19,20)21/h5-9,11-12,17H,2-4H2,1H3,(H,23,26);4-9,13,23H,3,10-11H2,1-2H3/t17-;13-/m11/s1
InChIKeyMXIOUZQIUKHPPT-GFJIOCRJSA-N
XLogP7.68
TPSA141.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.76
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine?
The IUPAC name of 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine (CID 90026106) is 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine is CC[C@@H]1CN(c2ccc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)CN1.CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)c(C4CC4)c3)nc2)C1=O.
What is the InChIKey of 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine?
The InChIKey is MXIOUZQIUKHPPT-GFJIOCRJSA-N. The full InChI is InChI=1S/C20H18N4O3.C18H20F3N3O2/c1-2-17-19(25)24(20(26)23-17)14-6-8-18(22-11-14)27-15-7-5-13(10-21)16(9-15)12-3-4-12;1-3-13-10-24(11-23-13)14-5-7-17(22-9-14)25-15-6-4-12(2)16(8-15)26-18(19,20)21/h5-9,11-12,17H,2-4H2,1H3,(H,23,26);4-9,13,23H,3,10-11H2,1-2H3/t17-;13-/m11/s1.
What are the key properties of 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine?
2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine has a molecular weight of 729.76 g/mol, XLogP of 7.68, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile;5-[(4R)-4-ethylimidazolidin-1-yl]-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 90026106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).