1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide

C24H23FN6O4 — CID 143840306

About 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide

1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide (PubChem CID 143840306) has the molecular formula C24H23FN6O4 and a molecular weight of 478.48 g/mol. Its IUPAC name is 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
• PubChem CID: 143840306
• Molecular Formula: C24H23FN6O4
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.18
• IUPAC Name: 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
• SMILES: O=C(Nc1cn2nc(Oc3ccc(NC(=O)C4(C(=O)NC5CC5)CC4)cc3F)ccc2n1)C1CC1
• InChI: InChI=1S/C24H23FN6O4/c25-16-11-15(27-23(34)24(9-10-24)22(33)26-14-3-4-14)5-6-17(16)35-20-8-7-19-28-18(12-31(19)30-20)29-21(32)13-1-2-13/h5-8,11-14H,1-4,9-10H2,(H,26,33)(H,27,34)(H,29,32)
• InChIKey: CBKINKGPLJMXDS-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 126.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide (CID 143840306) is 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide is O=C(Nc1cn2nc(Oc3ccc(NC(=O)C4(C(=O)NC5CC5)CC4)cc3F)ccc2n1)C1CC1.

What is the InChIKey of 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?

The InChIKey is CBKINKGPLJMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O4/c25-16-11-15(27-23(34)24(9-10-24)22(33)26-14-3-4-14)5-6-17(16)35-20-8-7-19-28-18(12-31(19)30-20)29-21(32)13-1-2-13/h5-8,11-14H,1-4,9-10H2,(H,26,33)(H,27,34)(H,29,32).

What are the key properties of 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?

1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide has a molecular weight of 478.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 143840306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).