N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C28H21F2N9O — CID 118538679

About N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118538679) has the molecular formula C28H21F2N9O and a molecular weight of 537.53 g/mol. Its IUPAC name is N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• PubChem CID: 118538679
• Molecular Formula: C28H21F2N9O
• Molecular Weight: 537.53 g/mol
• Exact Mass: 537.18
• IUPAC Name: N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3Cc3cc(C4CC4)n[nH]3)ccc2n1)c1ccnc(F)c1
• InChI: InChI=1S/C28H21F2N9O/c29-19-5-3-17(4-6-19)26-27(38(15-32-26)13-20-12-22(36-35-20)16-1-2-16)21-7-8-25-33-24(14-39(25)37-21)34-28(40)18-9-10-31-23(30)11-18/h3-12,14-16H,1-2,13H2,(H,34,40)(H,35,36)
• InChIKey: HBAIXLRCCGUWNG-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.53
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
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-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The IUPAC name of N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118538679) is N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

What is the SMILES notation for N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The canonical SMILES for N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3Cc3cc(C4CC4)n[nH]3)ccc2n1)c1ccnc(F)c1.

What is the InChIKey of N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The InChIKey is HBAIXLRCCGUWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N9O/c29-19-5-3-17(4-6-19)26-27(38(15-32-26)13-20-12-22(36-35-20)16-1-2-16)21-7-8-25-33-24(14-39(25)37-21)34-28(40)18-9-10-31-23(30)11-18/h3-12,14-16H,1-2,13H2,(H,34,40)(H,35,36).

What are the key properties of N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 537.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118538679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).