5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine

C27H34F3N7O2 — CID 24849930

IUPAC5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCC[C@H]1CN(c2ccc(-c3nnc(N)o3)nc2C)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C27H34F3N7O2/c1-3-20-17-36(24-9-8-23(32-18(24)2)25-33-34-26(31)38-25)14-15-37(20)21-10-12-35(13-11-21)16-19-4-6-22(7-5-19)39-27(28,29)30/h4-9,20-21H,3,10-17H2,1-2H3,(H2,31,34)/t20-/m0/s1
InChIKeyKWCZIWRWFHKREG-FQEVSTJZSA-N
MW545.61 g/mol
LogP4.49
Rot. Bonds7

About 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine

5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 24849930) has the molecular formula C27H34F3N7O2 and a molecular weight of 545.61 g/mol. Its IUPAC name is 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID24849930
Molecular FormulaC27H34F3N7O2
Molecular Weight545.61 g/mol
Exact Mass545.27
IUPAC Name5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCC[C@H]1CN(c2ccc(-c3nnc(N)o3)nc2C)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C27H34F3N7O2/c1-3-20-17-36(24-9-8-23(32-18(24)2)25-33-34-26(31)38-25)14-15-37(20)21-10-12-35(13-11-21)16-19-4-6-22(7-5-19)39-27(28,29)30/h4-9,20-21H,3,10-17H2,1-2H3,(H2,31,34)/t20-/m0/s1
InChIKeyKWCZIWRWFHKREG-FQEVSTJZSA-N
XLogP4.49
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 24849930) is 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine is CC[C@H]1CN(c2ccc(-c3nnc(N)o3)nc2C)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KWCZIWRWFHKREG-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H34F3N7O2/c1-3-20-17-36(24-9-8-23(32-18(24)2)25-33-34-26(31)38-25)14-15-37(20)21-10-12-35(13-11-21)16-19-4-6-22(7-5-19)39-27(28,29)30/h4-9,20-21H,3,10-17H2,1-2H3,(H2,31,34)/t20-/m0/s1.
What are the key properties of 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 545.61 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 24849930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).