N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide

C24H21F3N6O2 — CID 178051847

About N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178051847) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 178051847
• Molecular Formula: C24H21F3N6O2
• Molecular Weight: 482.47 g/mol
• Exact Mass: 482.17
• IUPAC Name: N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC(F)(F)c1ccn2c(C(=O)Nc3cccc(-c4noc([C@@H]5CC6(CC6)CN5)n4)c3F)cnc2c1
• InChI: InChI=1S/C24H21F3N6O2/c1-23(26,27)13-5-8-33-17(11-28-18(33)9-13)21(34)30-15-4-2-3-14(19(15)25)20-31-22(35-32-20)16-10-24(6-7-24)12-29-16/h2-5,8-9,11,16,29H,6-7,10,12H2,1H3,(H,30,34)/t16-/m0/s1
• InChIKey: UVURCJCCLHOOSQ-INIZCTEOSA-N
• XLogP: 4.70
• 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	482.47
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 178051847) is N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide is CC(F)(F)c1ccn2c(C(=O)Nc3cccc(-c4noc([C@@H]5CC6(CC6)CN5)n4)c3F)cnc2c1.

What is the InChIKey of N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is UVURCJCCLHOOSQ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-23(26,27)13-5-8-33-17(11-28-18(33)9-13)21(34)30-15-4-2-3-14(19(15)25)20-31-22(35-32-20)16-10-24(6-7-24)12-29-16/h2-5,8-9,11,16,29H,6-7,10,12H2,1H3,(H,30,34)/t16-/m0/s1.

What are the key properties of N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide?

N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178051847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).