(2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide

C22H17F6N7O2 — CID 58832606

About (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide

(2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide (PubChem CID 58832606) has the molecular formula C22H17F6N7O2 and a molecular weight of 525.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide
• PubChem CID: 58832606
• Molecular Formula: C22H17F6N7O2
• Molecular Weight: 525.41 g/mol
• Exact Mass: 525.13
• IUPAC Name: (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide
• SMILES: C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3ccc(C(F)(F)F)nc3)o2)c1
• InChI: InChI=1S/C22H17F6N7O2/c1-11(29)18(36)31-9-12-3-2-4-14(7-12)35-15(8-17(34-35)22(26,27)28)20-33-32-19(37-20)13-5-6-16(30-10-13)21(23,24)25/h2-8,10-11H,9,29H2,1H3,(H,31,36)/t11-/m0/s1
• InChIKey: QWNBZXQCDHTFQE-NSHDSACASA-N
• XLogP: 3.99
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.41
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide?

The IUPAC name of (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide (CID 58832606) is (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide.

What is the SMILES notation for (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide?

The canonical SMILES for (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide is C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3ccc(C(F)(F)F)nc3)o2)c1.

What is the InChIKey of (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide?

The InChIKey is QWNBZXQCDHTFQE-NSHDSACASA-N. The full InChI is InChI=1S/C22H17F6N7O2/c1-11(29)18(36)31-9-12-3-2-4-14(7-12)35-15(8-17(34-35)22(26,27)28)20-33-32-19(37-20)13-5-6-16(30-10-13)21(23,24)25/h2-8,10-11H,9,29H2,1H3,(H,31,36)/t11-/m0/s1.

What are the key properties of (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide?

(2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide has a molecular weight of 525.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[[3-[3-(trifluoromethyl)-5-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrazol-1-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 58832606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).