1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one

C18H22N4O — CID 135511907

IUPAC1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCCN1CCC(c2nn(C)c3[nH]c(=O)c4ccccc4c23)CC1
InChIInChI=1S/C18H22N4O/c1-3-22-10-8-12(9-11-22)16-15-13-6-4-5-7-14(13)18(23)19-17(15)21(2)20-16/h4-7,12H,3,8-11H2,1-2H3,(H,19,23)
InChIKeyBHBMWGCVSKOSHS-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.61
Rot. Bonds2

About 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one

1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135511907) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135511907
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCCN1CCC(c2nn(C)c3[nH]c(=O)c4ccccc4c23)CC1
InChIInChI=1S/C18H22N4O/c1-3-22-10-8-12(9-11-22)16-15-13-6-4-5-7-14(13)18(23)19-17(15)21(2)20-16/h4-7,12H,3,8-11H2,1-2H3,(H,19,23)
InChIKeyBHBMWGCVSKOSHS-UHFFFAOYSA-N
XLogP2.61
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135511907) is 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one is CCN1CCC(c2nn(C)c3[nH]c(=O)c4ccccc4c23)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is BHBMWGCVSKOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-22-10-8-12(9-11-22)16-15-13-6-4-5-7-14(13)18(23)19-17(15)21(2)20-16/h4-7,12H,3,8-11H2,1-2H3,(H,19,23).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 310.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135511907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).