N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C25H24F2N6O2 — CID 178051656

About N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 178051656) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 178051656
• Molecular Formula: C25H24F2N6O2
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.19
• IUPAC Name: N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc([C@@H]3CC4(CC4)CN3)n2)cc1NC(=O)c1cnn2cc(C(C)(F)F)ccc12
• InChI: InChI=1S/C25H24F2N6O2/c1-14-3-4-15(21-31-23(35-32-21)19-10-25(7-8-25)13-28-19)9-18(14)30-22(34)17-11-29-33-12-16(24(2,26)27)5-6-20(17)33/h3-6,9,11-12,19,28H,7-8,10,13H2,1-2H3,(H,30,34)/t19-/m0/s1
• InChIKey: ZATMDYHJQGBBQC-IBGZPJMESA-N
• XLogP: 4.87
• TPSA: 97.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 178051656) is N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2noc([C@@H]3CC4(CC4)CN3)n2)cc1NC(=O)c1cnn2cc(C(C)(F)F)ccc12.

What is the InChIKey of N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is ZATMDYHJQGBBQC-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-14-3-4-15(21-31-23(35-32-21)19-10-25(7-8-25)13-28-19)9-18(14)30-22(34)17-11-29-33-12-16(24(2,26)27)5-6-20(17)33/h3-6,9,11-12,19,28H,7-8,10,13H2,1-2H3,(H,30,34)/t19-/m0/s1.

What are the key properties of N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 178051656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).