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

C19H22N4O2 — CID 6623617

IUPAC3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one
SMILESCC(C(=O)N1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C19H22N4O2/c1-13(18(24)22-10-6-3-7-11-22)23-16-9-5-4-8-14(16)15-12-20-21(2)19(25)17(15)23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3
InChIKeyBYOKMOXKOJVIKJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.46
Rot. Bonds2

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

3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one (PubChem CID 6623617) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one
PubChem CID6623617
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one
SMILESCC(C(=O)N1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C19H22N4O2/c1-13(18(24)22-10-6-3-7-11-22)23-16-9-5-4-8-14(16)15-12-20-21(2)19(25)17(15)23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3
InChIKeyBYOKMOXKOJVIKJ-UHFFFAOYSA-N
XLogP2.46
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one (CID 6623617) is 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one is CC(C(=O)N1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21.
What is the InChIKey of 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one?
The InChIKey is BYOKMOXKOJVIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(18(24)22-10-6-3-7-11-22)23-16-9-5-4-8-14(16)15-12-20-21(2)19(25)17(15)23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3.
What are the key properties of 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one?
3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one has a molecular weight of 338.41 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 6623617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).