1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one

C24H32N4O2 — CID 123771926

IUPAC1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one
SMILESCCC(=O)CCc1ccc(C2CCCC(c3ccc(CCC(=O)CC)nn3)C2)nn1
InChIInChI=1S/C24H32N4O2/c1-3-21(29)12-8-19-10-14-23(27-25-19)17-6-5-7-18(16-17)24-15-11-20(26-28-24)9-13-22(30)4-2/h10-11,14-15,17-18H,3-9,12-13,16H2,1-2H3
InChIKeyPEISHAFAESHVJT-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.53
Rot. Bonds10

About 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one

1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one (PubChem CID 123771926) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one.

Molecular Properties

Compound Name1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one
PubChem CID123771926
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one
SMILESCCC(=O)CCc1ccc(C2CCCC(c3ccc(CCC(=O)CC)nn3)C2)nn1
InChIInChI=1S/C24H32N4O2/c1-3-21(29)12-8-19-10-14-23(27-25-19)17-6-5-7-18(16-17)24-15-11-20(26-28-24)9-13-22(30)4-2/h10-11,14-15,17-18H,3-9,12-13,16H2,1-2H3
InChIKeyPEISHAFAESHVJT-UHFFFAOYSA-N
XLogP4.53
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one with MolForge

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Related Compounds

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
1-(4-nitrophenyl)-4-[6-[(1S,3S)-3-[6-[4-(4-nitrophenyl)-3-oxobutyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]butan-2-one
CID 144928571
1-(5-ethoxy-2-pyridinyl)-3-[6-[(1S,3S)-3-[6-[3-(5-ethoxy-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
CID 158025034
N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
CID 123960085
1-[4-(aminomethyl)phenyl]-3-[6-[(1S,3S)-3-[6-[3-[4-(aminomethyl)phenyl]-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
CID 147710115
1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
CID 158103850
1-[6-(aminomethyl)-2-pyridinyl]-3-[6-[(1S,3S)-3-[6-[3-[6-(aminomethyl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
CID 147502262
1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
CID 158918381
N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide
CID 129135995
1-(3-methoxyphenyl)-3-[6-[(1R,3R)-3-[6-[3-(3-methoxyphenyl)-2-oxopropyl]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]propan-2-one
CID 158187566
2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
CID 129136068
2-(4-methylsulfonylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 129136054

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one?
The IUPAC name of 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one (CID 123771926) is 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one.
What is the SMILES notation for 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one?
The canonical SMILES for 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one is CCC(=O)CCc1ccc(C2CCCC(c3ccc(CCC(=O)CC)nn3)C2)nn1.
What is the InChIKey of 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one?
The InChIKey is PEISHAFAESHVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-21(29)12-8-19-10-14-23(27-25-19)17-6-5-7-18(16-17)24-15-11-20(26-28-24)9-13-22(30)4-2/h10-11,14-15,17-18H,3-9,12-13,16H2,1-2H3.
What are the key properties of 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one?
1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one has a molecular weight of 408.55 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-[6-(3-oxopentyl)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]pentan-3-one is sourced from PubChem (CID 123771926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).