6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine

C20H17F3N8O2S — CID 147853344

IUPAC6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
SMILESFC(F)(F)c1nc(-c2ccc(CN(c3cnccn3)c3ccc(N4CCOCC4)nn3)s2)no1
InChIInChI=1S/C20H17F3N8O2S/c21-20(22,23)19-26-18(29-33-19)14-2-1-13(34-14)12-31(17-11-24-5-6-25-17)16-4-3-15(27-28-16)30-7-9-32-10-8-30/h1-6,11H,7-10,12H2
InChIKeyHVGCKCUBEYSMBU-UHFFFAOYSA-N
MW490.47 g/mol
LogP3.57
Rot. Bonds6

About 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine

6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine (PubChem CID 147853344) has the molecular formula C20H17F3N8O2S and a molecular weight of 490.47 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
PubChem CID147853344
Molecular FormulaC20H17F3N8O2S
Molecular Weight490.47 g/mol
Exact Mass490.11
IUPAC Name6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
SMILESFC(F)(F)c1nc(-c2ccc(CN(c3cnccn3)c3ccc(N4CCOCC4)nn3)s2)no1
InChIInChI=1S/C20H17F3N8O2S/c21-20(22,23)19-26-18(29-33-19)14-2-1-13(34-14)12-31(17-11-24-5-6-25-17)16-4-3-15(27-28-16)30-7-9-32-10-8-30/h1-6,11H,7-10,12H2
InChIKeyHVGCKCUBEYSMBU-UHFFFAOYSA-N
XLogP3.57
TPSA106.19 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine (CID 147853344) is 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine is FC(F)(F)c1nc(-c2ccc(CN(c3cnccn3)c3ccc(N4CCOCC4)nn3)s2)no1.
What is the InChIKey of 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?
The InChIKey is HVGCKCUBEYSMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N8O2S/c21-20(22,23)19-26-18(29-33-19)14-2-1-13(34-14)12-31(17-11-24-5-6-25-17)16-4-3-15(27-28-16)30-7-9-32-10-8-30/h1-6,11H,7-10,12H2.
What are the key properties of 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?
6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine has a molecular weight of 490.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 147853344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).