6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide

C22H19FN6O — CID 44520270

About 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide

6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide (PubChem CID 44520270) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide
• PubChem CID: 44520270
• Molecular Formula: C22H19FN6O
• Molecular Weight: 402.43 g/mol
• Exact Mass: 402.16
• IUPAC Name: 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide
• SMILES: NC(=O)c1cccc(-c2cnc3ccc(N4CCC[C@H]4c4cccc(F)c4)nn23)n1
• InChI: InChI=1S/C22H19FN6O/c23-15-5-1-4-14(12-15)18-8-3-11-28(18)21-10-9-20-25-13-19(29(20)27-21)16-6-2-7-17(26-16)22(24)30/h1-2,4-7,9-10,12-13,18H,3,8,11H2,(H2,24,30)/t18-/m0/s1
• InChIKey: ILSLOIWRPZDQFC-SFHVURJKSA-N
• XLogP: 3.37
• TPSA: 89.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.43
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide?

The IUPAC name of 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide (CID 44520270) is 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2cnc3ccc(N4CCC[C@H]4c4cccc(F)c4)nn23)n1.

What is the InChIKey of 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide?

The InChIKey is ILSLOIWRPZDQFC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-15-5-1-4-14(12-15)18-8-3-11-28(18)21-10-9-20-25-13-19(29(20)27-21)16-6-2-7-17(26-16)22(24)30/h1-2,4-7,9-10,12-13,18H,3,8,11H2,(H2,24,30)/t18-/m0/s1.

What are the key properties of 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide?

6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44520270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).