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

C22H17F6N7O2S — CID 155677036

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

N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine (PubChem CID 155677036) has the molecular formula C22H17F6N7O2S and a molecular weight of 557.48 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

• Compound Name: N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
• PubChem CID: 155677036
• Molecular Formula: C22H17F6N7O2S
• Molecular Weight: 557.48 g/mol
• Exact Mass: 557.11
• IUPAC Name: N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
• SMILES: FC(F)(F)c1cnnc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2ncccc2N2CCOCC2)c1
• InChI: InChI=1S/C22H17F6N7O2S/c23-21(24,25)13-10-17(32-30-11-13)35(19-15(2-1-5-29-19)34-6-8-36-9-7-34)12-14-3-4-16(38-14)18-31-20(37-33-18)22(26,27)28/h1-5,10-11H,6-9,12H2
• InChIKey: BNTDLAZYLRIBOA-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 93.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.48
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The IUPAC name of N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine (CID 155677036) is N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine.

What is the SMILES notation for N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The canonical SMILES for N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine is FC(F)(F)c1cnnc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2ncccc2N2CCOCC2)c1.

What is the InChIKey of N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The InChIKey is BNTDLAZYLRIBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N7O2S/c23-21(24,25)13-10-17(32-30-11-13)35(19-15(2-1-5-29-19)34-6-8-36-9-7-34)12-14-3-4-16(38-14)18-31-20(37-33-18)22(26,27)28/h1-5,10-11H,6-9,12H2.

What are the key properties of N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine has a molecular weight of 557.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 155677036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).