[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C30H32FN7O2 — CID 58335908

About [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 58335908) has the molecular formula C30H32FN7O2 and a molecular weight of 541.63 g/mol. Its IUPAC name is [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone
• PubChem CID: 58335908
• Molecular Formula: C30H32FN7O2
• Molecular Weight: 541.63 g/mol
• Exact Mass: 541.26
• IUPAC Name: [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone
• SMILES: O=C(C1CCCO1)N1CCN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CC1
• InChI: InChI=1S/C30H32FN7O2/c31-22-6-1-5-21(19-22)24-8-3-13-37(24)29-12-11-27-32-20-25(38(27)34-29)23-7-2-10-28(33-23)35-14-16-36(17-15-35)30(39)26-9-4-18-40-26/h1-2,5-7,10-12,19-20,24,26H,3-4,8-9,13-18H2
• InChIKey: FWCUVLGEHIDIMI-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 79.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.63
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone?

The IUPAC name of [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 58335908) is [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

What is the SMILES notation for [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone?

The canonical SMILES for [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CC1.

What is the InChIKey of [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone?

The InChIKey is FWCUVLGEHIDIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O2/c31-22-6-1-5-21(19-22)24-8-3-13-37(24)29-12-11-27-32-20-25(38(27)34-29)23-7-2-10-28(33-23)35-14-16-36(17-15-35)30(39)26-9-4-18-40-26/h1-2,5-7,10-12,19-20,24,26H,3-4,8-9,13-18H2.

What are the key properties of [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone?

[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 541.63 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 58335908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).