2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine

C27H20F8N4 — CID 58004354

IUPAC2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine
SMILESFc1ccc(-c2cccc(C3(c4cccc(-c5cc(C(F)(F)F)[nH]n5)n4)CCCCC3)n2)c(F)c1C(F)(F)F
InChIInChI=1S/C27H20F8N4/c28-16-11-10-15(24(29)23(16)27(33,34)35)17-6-4-8-20(36-17)25(12-2-1-3-13-25)21-9-5-7-18(37-21)19-14-22(39-38-19)26(30,31)32/h4-11,14H,1-3,12-13H2,(H,38,39)
InChIKeyKZIIHZNRBODYSG-UHFFFAOYSA-N
MW552.47 g/mol
LogP8.10
Rot. Bonds4

About 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine

2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine (PubChem CID 58004354) has the molecular formula C27H20F8N4 and a molecular weight of 552.47 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine.

Molecular Properties

Compound Name2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine
PubChem CID58004354
Molecular FormulaC27H20F8N4
Molecular Weight552.47 g/mol
Exact Mass552.16
IUPAC Name2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine
SMILESFc1ccc(-c2cccc(C3(c4cccc(-c5cc(C(F)(F)F)[nH]n5)n4)CCCCC3)n2)c(F)c1C(F)(F)F
InChIInChI=1S/C27H20F8N4/c28-16-11-10-15(24(29)23(16)27(33,34)35)17-6-4-8-20(36-17)25(12-2-1-3-13-25)21-9-5-7-18(37-21)19-14-22(39-38-19)26(30,31)32/h4-11,14H,1-3,12-13H2,(H,38,39)
InChIKeyKZIIHZNRBODYSG-UHFFFAOYSA-N
XLogP8.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.47
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine?
The IUPAC name of 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine (CID 58004354) is 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine.
What is the SMILES notation for 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine?
The canonical SMILES for 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine is Fc1ccc(-c2cccc(C3(c4cccc(-c5cc(C(F)(F)F)[nH]n5)n4)CCCCC3)n2)c(F)c1C(F)(F)F.
What is the InChIKey of 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine?
The InChIKey is KZIIHZNRBODYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F8N4/c28-16-11-10-15(24(29)23(16)27(33,34)35)17-6-4-8-20(36-17)25(12-2-1-3-13-25)21-9-5-7-18(37-21)19-14-22(39-38-19)26(30,31)32/h4-11,14H,1-3,12-13H2,(H,38,39).
What are the key properties of 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine?
2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine has a molecular weight of 552.47 g/mol, XLogP of 8.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-3-(trifluoromethyl)phenyl]-6-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]cyclohexyl]pyridine is sourced from PubChem (CID 58004354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).