2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine

C35H34FN7O2S — CID 58046361

About 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine

2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 58046361) has the molecular formula C35H34FN7O2S and a molecular weight of 635.77 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
• PubChem CID: 58046361
• Molecular Formula: C35H34FN7O2S
• Molecular Weight: 635.77 g/mol
• Exact Mass: 635.25
• IUPAC Name: 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
• SMILES: Cc1ccc(S(=O)(=O)n2ccc3c(-c4c(-c5ccc(F)cc5)nc5ccc(N6CCC(N7CCCC7)CC6)nn45)ccnc32)cc1
• InChI: InChI=1S/C35H34FN7O2S/c1-24-4-10-28(11-5-24)46(44,45)42-23-17-30-29(14-18-37-35(30)42)34-33(25-6-8-26(36)9-7-25)38-31-12-13-32(39-43(31)34)41-21-15-27(16-22-41)40-19-2-3-20-40/h4-14,17-18,23,27H,2-3,15-16,19-22H2,1H3
• InChIKey: RVZLFDGJWVXVNL-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 88.63 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.77
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?

The IUPAC name of 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine (CID 58046361) is 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine is Cc1ccc(S(=O)(=O)n2ccc3c(-c4c(-c5ccc(F)cc5)nc5ccc(N6CCC(N7CCCC7)CC6)nn45)ccnc32)cc1.

What is the InChIKey of 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?

The InChIKey is RVZLFDGJWVXVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN7O2S/c1-24-4-10-28(11-5-24)46(44,45)42-23-17-30-29(14-18-37-35(30)42)34-33(25-6-8-26(36)9-7-25)38-31-12-13-32(39-43(31)34)41-21-15-27(16-22-41)40-19-2-3-20-40/h4-14,17-18,23,27H,2-3,15-16,19-22H2,1H3.

What are the key properties of 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?

2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 635.77 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 58046361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).