6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine

C24H22F4N6O2 — CID 59682970

IUPAC6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESFc1c(OC2CCC(Cc3cccc(Nc4ccn[nH]4)n3)(c3nnco3)CC2)cccc1C(F)(F)F
InChIInChI=1S/C24H22F4N6O2/c25-21-17(24(26,27)28)4-2-5-18(21)36-16-7-10-23(11-8-16,22-34-30-14-35-22)13-15-3-1-6-19(31-15)32-20-9-12-29-33-20/h1-6,9,12,14,16H,7-8,10-11,13H2,(H2,29,31,32,33)
InChIKeyBJUHJHBPUXGUBE-UHFFFAOYSA-N
MW502.47 g/mol
LogP5.59
Rot. Bonds7

About 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine

6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine (PubChem CID 59682970) has the molecular formula C24H22F4N6O2 and a molecular weight of 502.47 g/mol. Its IUPAC name is 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
PubChem CID59682970
Molecular FormulaC24H22F4N6O2
Molecular Weight502.47 g/mol
Exact Mass502.17
IUPAC Name6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESFc1c(OC2CCC(Cc3cccc(Nc4ccn[nH]4)n3)(c3nnco3)CC2)cccc1C(F)(F)F
InChIInChI=1S/C24H22F4N6O2/c25-21-17(24(26,27)28)4-2-5-18(21)36-16-7-10-23(11-8-16,22-34-30-14-35-22)13-15-3-1-6-19(31-15)32-20-9-12-29-33-20/h1-6,9,12,14,16H,7-8,10-11,13H2,(H2,29,31,32,33)
InChIKeyBJUHJHBPUXGUBE-UHFFFAOYSA-N
XLogP5.59
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.47
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The IUPAC name of 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine (CID 59682970) is 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The canonical SMILES for 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine is Fc1c(OC2CCC(Cc3cccc(Nc4ccn[nH]4)n3)(c3nnco3)CC2)cccc1C(F)(F)F.
What is the InChIKey of 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The InChIKey is BJUHJHBPUXGUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N6O2/c25-21-17(24(26,27)28)4-2-5-18(21)36-16-7-10-23(11-8-16,22-34-30-14-35-22)13-15-3-1-6-19(31-15)32-20-9-12-29-33-20/h1-6,9,12,14,16H,7-8,10-11,13H2,(H2,29,31,32,33).
What are the key properties of 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine?
6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine has a molecular weight of 502.47 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-(1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 59682970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).