5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid

C26H24F7N7O4 — CID 87251852

IUPAC5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nnc(C2(Cc3cccc(Nc4ccn[nH]4)n3)CCC(Oc3cccc(C(F)(F)F)c3F)CC2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23F4N7O2.C2HF3O2/c25-20-16(24(26,27)28)4-2-5-17(20)36-15-7-10-23(11-8-15,21-34-35-22(29)37-21)13-14-3-1-6-18(31-14)32-19-9-12-30-33-19;3-2(4,5)1(6)7/h1-6,9,12,15H,7-8,10-11,13H2,(H2,29,35)(H2,30,31,32,33);(H,6,7)
InChIKeyFANGKPWHJNTCJK-UHFFFAOYSA-N
MW631.51 g/mol
LogP5.81
Rot. Bonds7

About 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid

5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 87251852) has the molecular formula C26H24F7N7O4 and a molecular weight of 631.51 g/mol. Its IUPAC name is 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID87251852
Molecular FormulaC26H24F7N7O4
Molecular Weight631.51 g/mol
Exact Mass631.18
IUPAC Name5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nnc(C2(Cc3cccc(Nc4ccn[nH]4)n3)CCC(Oc3cccc(C(F)(F)F)c3F)CC2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23F4N7O2.C2HF3O2/c25-20-16(24(26,27)28)4-2-5-17(20)36-15-7-10-23(11-8-15,21-34-35-22(29)37-21)13-14-3-1-6-18(31-14)32-19-9-12-30-33-19;3-2(4,5)1(6)7/h1-6,9,12,15H,7-8,10-11,13H2,(H2,29,35)(H2,30,31,32,33);(H,6,7)
InChIKeyFANGKPWHJNTCJK-UHFFFAOYSA-N
XLogP5.81
TPSA165.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.51
LogP ≤ 55.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid (CID 87251852) is 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid is Nc1nnc(C2(Cc3cccc(Nc4ccn[nH]4)n3)CCC(Oc3cccc(C(F)(F)F)c3F)CC2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FANGKPWHJNTCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7O2.C2HF3O2/c25-20-16(24(26,27)28)4-2-5-17(20)36-15-7-10-23(11-8-15,21-34-35-22(29)37-21)13-14-3-1-6-18(31-14)32-19-9-12-30-33-19;3-2(4,5)1(6)7/h1-6,9,12,15H,7-8,10-11,13H2,(H2,29,35)(H2,30,31,32,33);(H,6,7).
What are the key properties of 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid?
5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 631.51 g/mol, XLogP of 5.81, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexyl]-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87251852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).