2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone

C38H32F6N4O6 — CID 159555120

IUPAC2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone
SMILESO=C(CC1CC1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.OC(CC1CC1)(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C21H18F3N3O3.C17H14F3NO3/c22-21(23,24)30-17-5-3-16(4-6-17)29-18-7-8-19(27-12-18)20(28,9-14-1-2-14)15-10-25-13-26-11-15;18-17(19,20)24-13-5-3-12(4-6-13)23-14-7-8-15(21-10-14)16(22)9-11-1-2-11/h3-8,10-14,28H,1-2,9H2;3-8,10-11H,1-2,9H2
InChIKeyMFWTUFYQTKMEMU-UHFFFAOYSA-N
MW754.68 g/mol
LogP9.35
Rot. Bonds13

About 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone

2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone (PubChem CID 159555120) has the molecular formula C38H32F6N4O6 and a molecular weight of 754.68 g/mol. Its IUPAC name is 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone
PubChem CID159555120
Molecular FormulaC38H32F6N4O6
Molecular Weight754.68 g/mol
Exact Mass754.22
IUPAC Name2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone
SMILESO=C(CC1CC1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.OC(CC1CC1)(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C21H18F3N3O3.C17H14F3NO3/c22-21(23,24)30-17-5-3-16(4-6-17)29-18-7-8-19(27-12-18)20(28,9-14-1-2-14)15-10-25-13-26-11-15;18-17(19,20)24-13-5-3-12(4-6-13)23-14-7-8-15(21-10-14)16(22)9-11-1-2-11/h3-8,10-14,28H,1-2,9H2;3-8,10-11H,1-2,9H2
InChIKeyMFWTUFYQTKMEMU-UHFFFAOYSA-N
XLogP9.35
TPSA125.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.68
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(Pyrimidin-5-ylmethyl)piperidin-4-yl]-1-[5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone
CID 58456809
Pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]pyridin-2-yl]methanone
CID 118431451
2-Cyclopropyl-1-(pyrimidin-5-yl)-1-(5-(4-(trifluoromethoxy)phenoxy)pyridin-2-yl)ethanol
CID 118431488
Cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]pyridin-2-yl]methanol
CID 118443681
3-Cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]pyridin-2-yl]prop-2-yn-1-ol
CID 118443706
2-[6-(1,1-Difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 123597482
(5-Fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol
CID 158648788
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 158685563
2,2-Dimethyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone
CID 158909623
[5-(4-Methoxyphenyl)-2-pyridinyl]-pyrimidin-5-ylmethanone;1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]but-2-yn-1-ol
CID 158921405
2-Methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone
CID 159753984
(2,4-Difluorophenyl)-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol;pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone
CID 160365535

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone (CID 159555120) is 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone is O=C(CC1CC1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.OC(CC1CC1)(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone?
The InChIKey is MFWTUFYQTKMEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3.C17H14F3NO3/c22-21(23,24)30-17-5-3-16(4-6-17)29-18-7-8-19(27-12-18)20(28,9-14-1-2-14)15-10-25-13-26-11-15;18-17(19,20)24-13-5-3-12(4-6-13)23-14-7-8-15(21-10-14)16(22)9-11-1-2-11/h3-8,10-14,28H,1-2,9H2;3-8,10-11H,1-2,9H2.
What are the key properties of 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone?
2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone has a molecular weight of 754.68 g/mol, XLogP of 9.35, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol;2-cyclopropyl-1-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 159555120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).