2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

C25H26FN7O2 — CID 56837590

About 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 56837590) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• PubChem CID: 56837590
• Molecular Formula: C25H26FN7O2
• Molecular Weight: 475.53 g/mol
• Exact Mass: 475.21
• IUPAC Name: 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4ccc(F)nc4N)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C25H26FN7O2/c1-25(18-8-9-18,17-6-4-15(5-7-17)19-10-11-20(26)29-22(19)27)24-30-23(35-31-24)16-12-28-33(13-16)14-21(34)32(2)3/h4-7,10-13,18H,8-9,14H2,1-3H3,(H2,27,29)
• InChIKey: NVDBXCCNRGTKJN-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 115.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.53
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 56837590) is 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4ccc(F)nc4N)cc3)C3CC3)no2)cn1.

What is the InChIKey of 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The InChIKey is NVDBXCCNRGTKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-25(18-8-9-18,17-6-4-15(5-7-17)19-10-11-20(26)29-22(19)27)24-30-23(35-31-24)16-12-28-33(13-16)14-21(34)32(2)3/h4-7,10-13,18H,8-9,14H2,1-3H3,(H2,27,29).

What are the key properties of 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 475.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(2-amino-6-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 56837590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).