2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine

C34H30F6N6O2 — CID 118654421

IUPAC2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2cccc(-c3cccc(-c4cccc(-c5cc(C(F)(F)F)nn5C5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1
InChIInChI=1S/C34H30F6N6O2/c35-33(36,37)29-19-27(45(43-29)31-14-1-3-16-47-31)25-12-6-10-23(41-25)21-8-5-9-22(18-21)24-11-7-13-26(42-24)28-20-30(34(38,39)40)44-46(28)32-15-2-4-17-48-32/h5-13,18-20,31-32H,1-4,14-17H2
InChIKeyXBXJKGDVBNZHLJ-UHFFFAOYSA-N
MW668.64 g/mol
LogP8.97
Rot. Bonds6

About 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine

2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine (PubChem CID 118654421) has the molecular formula C34H30F6N6O2 and a molecular weight of 668.64 g/mol. Its IUPAC name is 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine
PubChem CID118654421
Molecular FormulaC34H30F6N6O2
Molecular Weight668.64 g/mol
Exact Mass668.23
IUPAC Name2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2cccc(-c3cccc(-c4cccc(-c5cc(C(F)(F)F)nn5C5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1
InChIInChI=1S/C34H30F6N6O2/c35-33(36,37)29-19-27(45(43-29)31-14-1-3-16-47-31)25-12-6-10-23(41-25)21-8-5-9-22(18-21)24-11-7-13-26(42-24)28-20-30(34(38,39)40)44-46(28)32-15-2-4-17-48-32/h5-13,18-20,31-32H,1-4,14-17H2
InChIKeyXBXJKGDVBNZHLJ-UHFFFAOYSA-N
XLogP8.97
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.64
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine?
The IUPAC name of 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine (CID 118654421) is 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine.
What is the SMILES notation for 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine?
The canonical SMILES for 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine is FC(F)(F)c1cc(-c2cccc(-c3cccc(-c4cccc(-c5cc(C(F)(F)F)nn5C5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1.
What is the InChIKey of 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine?
The InChIKey is XBXJKGDVBNZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F6N6O2/c35-33(36,37)29-19-27(45(43-29)31-14-1-3-16-47-31)25-12-6-10-23(41-25)21-8-5-9-22(18-21)24-11-7-13-26(42-24)28-20-30(34(38,39)40)44-46(28)32-15-2-4-17-48-32/h5-13,18-20,31-32H,1-4,14-17H2.
What are the key properties of 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine?
2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine has a molecular weight of 668.64 g/mol, XLogP of 8.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine is sourced from PubChem (CID 118654421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).