N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C19H15F2N7O2 — CID 176623816

About N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 176623816) has the molecular formula C19H15F2N7O2 and a molecular weight of 411.37 g/mol. Its IUPAC name is N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 176623816
• Molecular Formula: C19H15F2N7O2
• Molecular Weight: 411.37 g/mol
• Exact Mass: 411.13
• IUPAC Name: N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nnc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C19H15F2N7O2/c1-10-12(23-17(29)14-9-22-15-4-2-3-5-28(14)15)6-13(26-25-10)16-24-18(30-27-16)11-7-19(20,21)8-11/h2-6,9,11H,7-8H2,1H3,(H,23,26,29)
• InChIKey: ORXKECUYLQECGH-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 111.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.37
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 176623816) is N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nnc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccccn12.

What is the InChIKey of N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is ORXKECUYLQECGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7O2/c1-10-12(23-17(29)14-9-22-15-4-2-3-5-28(14)15)6-13(26-25-10)16-24-18(30-27-16)11-7-19(20,21)8-11/h2-6,9,11H,7-8H2,1H3,(H,23,26,29).

What are the key properties of N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 411.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 176623816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).