N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C33H27F2N9O3 — CID 118538718

About N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118538718) has the molecular formula C33H27F2N9O3 and a molecular weight of 635.64 g/mol. Its IUPAC name is N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• PubChem CID: 118538718
• Molecular Formula: C33H27F2N9O3
• Molecular Weight: 635.64 g/mol
• Exact Mass: 635.22
• IUPAC Name: N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-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)ncn3C3CCN(C(=O)c4cc(C5CC5)on4)CC3)ccc2n1)c1ccnc(F)c1
• InChI: InChI=1S/C33H27F2N9O3/c34-22-5-3-20(4-6-22)30-31(24-7-8-29-38-28(17-44(29)40-24)39-32(45)21-9-12-36-27(35)15-21)43(18-37-30)23-10-13-42(14-11-23)33(46)25-16-26(47-41-25)19-1-2-19/h3-9,12,15-19,23H,1-2,10-11,13-14H2,(H,39,45)
• InChIKey: SPFRFTCBTLCFJW-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 136.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.64
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The IUPAC name of N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118538718) is N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-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-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The canonical SMILES for N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-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)ncn3C3CCN(C(=O)c4cc(C5CC5)on4)CC3)ccc2n1)c1ccnc(F)c1.

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

The InChIKey is SPFRFTCBTLCFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F2N9O3/c34-22-5-3-20(4-6-22)30-31(24-7-8-29-38-28(17-44(29)40-24)39-32(45)21-9-12-36-27(35)15-21)43(18-37-30)23-10-13-42(14-11-23)33(46)25-16-26(47-41-25)19-1-2-19/h3-9,12,15-19,23H,1-2,10-11,13-14H2,(H,39,45).

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

N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 635.64 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118538718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).