3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one

C18H26N4O — CID 135948947

IUPAC3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCC(C)N1CCC(c2nn(C)c3[nH]c(=O)c4c(c23)CCCC4)C1
InChIInChI=1S/C18H26N4O/c1-11(2)22-9-8-12(10-22)16-15-13-6-4-5-7-14(13)18(23)19-17(15)21(3)20-16/h11-12H,4-10H2,1-3H3,(H,19,23)
InChIKeyIWDUMPMKTJEHNE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.34
Rot. Bonds2

About 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one

3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135948947) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135948947
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCC(C)N1CCC(c2nn(C)c3[nH]c(=O)c4c(c23)CCCC4)C1
InChIInChI=1S/C18H26N4O/c1-11(2)22-9-8-12(10-22)16-15-13-6-4-5-7-14(13)18(23)19-17(15)21(3)20-16/h11-12H,4-10H2,1-3H3,(H,19,23)
InChIKeyIWDUMPMKTJEHNE-UHFFFAOYSA-N
XLogP2.34
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135948947) is 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is CC(C)N1CCC(c2nn(C)c3[nH]c(=O)c4c(c23)CCCC4)C1.
What is the InChIKey of 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is IWDUMPMKTJEHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-11(2)22-9-8-12(10-22)16-15-13-6-4-5-7-14(13)18(23)19-17(15)21(3)20-16/h11-12H,4-10H2,1-3H3,(H,19,23).
What are the key properties of 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 314.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135948947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).