1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one

C32H32F2N6O2 — CID 123394818

IUPAC1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one
SMILESO=C(CCc1ccc(C2CCCC(c3ccc(CCC(=O)Cc4ccc(F)cn4)nn3)C2)nn1)Cc1ccc(F)cn1
InChIInChI=1S/C32H32F2N6O2/c33-23-4-6-27(35-19-23)17-29(41)12-8-25-10-14-31(39-37-25)21-2-1-3-22(16-21)32-15-11-26(38-40-32)9-13-30(42)18-28-7-5-24(34)20-36-28/h4-7,10-11,14-15,19-22H,1-3,8-9,12-13,16-18H2
InChIKeyYBLIBOGZTTXWEC-UHFFFAOYSA-N
MW570.64 g/mol
LogP5.26
Rot. Bonds12

About 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one

1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one (PubChem CID 123394818) has the molecular formula C32H32F2N6O2 and a molecular weight of 570.64 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one
PubChem CID123394818
Molecular FormulaC32H32F2N6O2
Molecular Weight570.64 g/mol
Exact Mass570.26
IUPAC Name1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one
SMILESO=C(CCc1ccc(C2CCCC(c3ccc(CCC(=O)Cc4ccc(F)cn4)nn3)C2)nn1)Cc1ccc(F)cn1
InChIInChI=1S/C32H32F2N6O2/c33-23-4-6-27(35-19-23)17-29(41)12-8-25-10-14-31(39-37-25)21-2-1-3-22(16-21)32-15-11-26(38-40-32)9-13-30(42)18-28-7-5-24(34)20-36-28/h4-7,10-11,14-15,19-22H,1-3,8-9,12-13,16-18H2
InChIKeyYBLIBOGZTTXWEC-UHFFFAOYSA-N
XLogP5.26
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one (CID 123394818) is 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one is O=C(CCc1ccc(C2CCCC(c3ccc(CCC(=O)Cc4ccc(F)cn4)nn3)C2)nn1)Cc1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one?
The InChIKey is YBLIBOGZTTXWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N6O2/c33-23-4-6-27(35-19-23)17-29(41)12-8-25-10-14-31(39-37-25)21-2-1-3-22(16-21)32-15-11-26(38-40-32)9-13-30(42)18-28-7-5-24(34)20-36-28/h4-7,10-11,14-15,19-22H,1-3,8-9,12-13,16-18H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one?
1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one has a molecular weight of 570.64 g/mol, XLogP of 5.26, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-4-[6-[3-[6-[4-(5-fluoro-2-pyridinyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one is sourced from PubChem (CID 123394818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).