5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one

C18H20N4O2 — CID 6620157

IUPAC5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one
SMILESCn1c2ccccc2c2cnn(CC(=O)N3CCCCC3)c(=O)c21
InChIInChI=1S/C18H20N4O2/c1-20-15-8-4-3-7-13(15)14-11-19-22(18(24)17(14)20)12-16(23)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKeyYSLNXIDXFWNMMP-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.90
Rot. Bonds2

About 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one

5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one (PubChem CID 6620157) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one
PubChem CID6620157
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one
SMILESCn1c2ccccc2c2cnn(CC(=O)N3CCCCC3)c(=O)c21
InChIInChI=1S/C18H20N4O2/c1-20-15-8-4-3-7-13(15)14-11-19-22(18(24)17(14)20)12-16(23)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKeyYSLNXIDXFWNMMP-UHFFFAOYSA-N
XLogP1.90
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one?
The IUPAC name of 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one (CID 6620157) is 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one is Cn1c2ccccc2c2cnn(CC(=O)N3CCCCC3)c(=O)c21.
What is the InChIKey of 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one?
The InChIKey is YSLNXIDXFWNMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-20-15-8-4-3-7-13(15)14-11-19-22(18(24)17(14)20)12-16(23)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3.
What are the key properties of 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one?
5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one has a molecular weight of 324.38 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 6620157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).