N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C24H18F3N7O2 — CID 118538705

About N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118538705) has the molecular formula C24H18F3N7O2 and a molecular weight of 493.45 g/mol. Its IUPAC name is N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• PubChem CID: 118538705
• Molecular Formula: C24H18F3N7O2
• Molecular Weight: 493.45 g/mol
• Exact Mass: 493.15
• IUPAC Name: N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• SMILES: COc1ccc(-c2ncn(CC(F)F)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)cc1
• InChI: InChI=1S/C24H18F3N7O2/c1-36-16-4-2-14(3-5-16)22-23(33(13-29-22)11-18(25)26)17-6-7-21-30-20(12-34(21)32-17)31-24(35)15-8-9-28-19(27)10-15/h2-10,12-13,18H,11H2,1H3,(H,31,35)
• InChIKey: VJMUMLWWCLUYME-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 99.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.45
LogP ≤ 5	4.32
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 N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The IUPAC name of N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118538705) is N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

What is the SMILES notation for N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The canonical SMILES for N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is COc1ccc(-c2ncn(CC(F)F)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)cc1.

What is the InChIKey of N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The InChIKey is VJMUMLWWCLUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O2/c1-36-16-4-2-14(3-5-16)22-23(33(13-29-22)11-18(25)26)17-6-7-21-30-20(12-34(21)32-17)31-24(35)15-8-9-28-19(27)10-15/h2-10,12-13,18H,11H2,1H3,(H,31,35).

What are the key properties of N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 493.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118538705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).