4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

C19H26N4O2S — CID 46961371

IUPAC4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2cc(N)c(=O)n(C(C)C(=O)N3CC(C)CC(C)C3)n2)s1
InChIInChI=1S/C19H26N4O2S/c1-11-7-12(2)10-22(9-11)18(24)14(4)23-19(25)15(20)8-16(21-23)17-6-5-13(3)26-17/h5-6,8,11-12,14H,7,9-10,20H2,1-4H3
InChIKeyIZYFEVLRYQKYHT-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.93
Rot. Bonds3

About 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 46961371) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
PubChem CID46961371
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2cc(N)c(=O)n(C(C)C(=O)N3CC(C)CC(C)C3)n2)s1
InChIInChI=1S/C19H26N4O2S/c1-11-7-12(2)10-22(9-11)18(24)14(4)23-19(25)15(20)8-16(21-23)17-6-5-13(3)26-17/h5-6,8,11-12,14H,7,9-10,20H2,1-4H3
InChIKeyIZYFEVLRYQKYHT-UHFFFAOYSA-N
XLogP2.93
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (CID 46961371) is 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is Cc1ccc(-c2cc(N)c(=O)n(C(C)C(=O)N3CC(C)CC(C)C3)n2)s1.
What is the InChIKey of 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is IZYFEVLRYQKYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-11-7-12(2)10-22(9-11)18(24)14(4)23-19(25)15(20)8-16(21-23)17-6-5-13(3)26-17/h5-6,8,11-12,14H,7,9-10,20H2,1-4H3.
What are the key properties of 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 374.51 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 46961371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).