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

C19H26N4O — CID 135948965

IUPAC1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc([C@@H]2CCCN2C2CCC2)c2c3c(c(=O)[nH]c21)CCCC3
InChIInChI=1S/C19H26N4O/c1-22-18-16(13-8-2-3-9-14(13)19(24)20-18)17(21-22)15-10-5-11-23(15)12-6-4-7-12/h12,15H,2-11H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyMJDXULXIJZKPAE-HNNXBMFYSA-N
MW326.44 g/mol
LogP2.83
Rot. Bonds2

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

1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135948965) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135948965
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc([C@@H]2CCCN2C2CCC2)c2c3c(c(=O)[nH]c21)CCCC3
InChIInChI=1S/C19H26N4O/c1-22-18-16(13-8-2-3-9-14(13)19(24)20-18)17(21-22)15-10-5-11-23(15)12-6-4-7-12/h12,15H,2-11H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyMJDXULXIJZKPAE-HNNXBMFYSA-N
XLogP2.83
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-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

Related Compounds

1,3-Dimethyl-3,4,6,7,8,9-hexahydropyrazolo[3,4-c]isoquinolin-5-one
CID 135512456
3,5-Dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135621700
1-[(2R)-1-methylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136341238
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136341272
1-[(2R)-1-cyclopentylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136357970
1-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136357976
1-[(2R)-1-cyclobutylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136414382
1-[(2R)-1-cycloheptylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136414479
1-[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136414500
(2R)-2-[5-oxo-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-1-yl]pyrrolidine-1-carboxylic acid
CID 136414505
1-[(2r)-Pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-3,4,6,7,8,9-hexahydro-5h-pyrazolo[3,4-c]isoquinolin-5-one
CID 136414507
2-[5-oxo-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-1-yl]pyrrolidine-1-carboxylic acid
CID 136491011

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135948965) is 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cn1nc([C@@H]2CCCN2C2CCC2)c2c3c(c(=O)[nH]c21)CCCC3.
What is the InChIKey of 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is MJDXULXIJZKPAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-22-18-16(13-8-2-3-9-14(13)19(24)20-18)17(21-22)15-10-5-11-23(15)12-6-4-7-12/h12,15H,2-11H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 326.44 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-cyclobutylpyrrolidin-2-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135948965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).