carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone

C39H41F2N7O3 — CID 162023209

About carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone

carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone (PubChem CID 162023209) has the molecular formula C39H41F2N7O3 and a molecular weight of 693.80 g/mol. Its IUPAC name is carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone.

Molecular Properties

• Compound Name: carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone
• PubChem CID: 162023209
• Molecular Formula: C39H41F2N7O3
• Molecular Weight: 693.80 g/mol
• Exact Mass: 693.32
• IUPAC Name: carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone
• SMILES: CC(=O)c1ccc(CCC2(c3ncccc3F)CCC2)nn1.CCC1=NCC(c2ccc(CCC3(c4ncccc4F)CCC3)nn2)=C1.O=C=O
• InChI: InChI=1S/C21H23FN4.C17H18FN3O.CO2/c1-2-16-13-15(14-24-16)19-7-6-17(25-26-19)8-11-21(9-4-10-21)20-18(22)5-3-12-23-20;1-12(22)15-6-5-13(20-21-15)7-10-17(8-3-9-17)16-14(18)4-2-11-19-16;2-1-3/h3,5-7,12-13H,2,4,8-11,14H2,1H3;2,4-6,11H,3,7-10H2,1H3
• InChIKey: YVADCLSUGQWIQD-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 140.91 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.80
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone?

The IUPAC name of carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone (CID 162023209) is carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone.

What is the SMILES notation for carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone?

The canonical SMILES for carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone is CC(=O)c1ccc(CCC2(c3ncccc3F)CCC2)nn1.CCC1=NCC(c2ccc(CCC3(c4ncccc4F)CCC3)nn2)=C1.O=C=O.

What is the InChIKey of carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone?

The InChIKey is YVADCLSUGQWIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4.C17H18FN3O.CO2/c1-2-16-13-15(14-24-16)19-7-6-17(25-26-19)8-11-21(9-4-10-21)20-18(22)5-3-12-23-20;1-12(22)15-6-5-13(20-21-15)7-10-17(8-3-9-17)16-14(18)4-2-11-19-16;2-1-3/h3,5-7,12-13H,2,4,8-11,14H2,1H3;2,4-6,11H,3,7-10H2,1H3;.

What are the key properties of carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone?

carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone has a molecular weight of 693.80 g/mol, XLogP of 7.00, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone is sourced from PubChem (CID 162023209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).