N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide

C₂₄H₂₃FN₆O₂ — CID 171796858

About N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796858) has the molecular formula C₂₄H₂₃FN₆O₂ and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171796858
• Molecular Formula: C₂₄H₂₃FN₆O₂
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.19
• IUPAC Name: N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3C[C@@H]3F)n2)cc1NC(=O)c1cnc2cc(N3CCCC3)ccn12
• InChI: InChI=1S/C24H23FN6O2/c1-14-4-5-15(22-28-24(33-29-22)17-12-18(17)25)10-19(14)27-23(32)20-13-26-21-11-16(6-9-31(20)21)30-7-2-3-8-30/h4-6,9-11,13,17-18H,2-3,7-8,12H2,1H3,(H,27,32)/t17?,18-/m0/s1
• InChIKey: ZKQNHVCIUBTWDZ-ZVAWYAOSSA-N
• XLogP: 4.37
• TPSA: 88.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 171796858) is N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3C[C@@H]3F)n2)cc1NC(=O)c1cnc2cc(N3CCCC3)ccn12.

What is the InChIKey of N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is ZKQNHVCIUBTWDZ-ZVAWYAOSSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-14-4-5-15(22-28-24(33-29-22)17-12-18(17)25)10-19(14)27-23(32)20-13-26-21-11-16(6-9-31(20)21)30-7-2-3-8-30/h4-6,9-11,13,17-18H,2-3,7-8,12H2,1H3,(H,27,32)/t17?,18-/m0/s1.

What are the key properties of N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171796858 — identifiers, structure, computed properties (public domain)

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