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

C18H25FN4O — CID 165389422

IUPAC1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc([C@H]2CCN(CCCF)C2)c2c3c(c(=O)[nH]c21)CCCC3
InChIInChI=1S/C18H25FN4O/c1-22-17-15(13-5-2-3-6-14(13)18(24)20-17)16(21-22)12-7-10-23(11-12)9-4-8-19/h12H,2-11H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyNOFRJPGKXIPXSA-LBPRGKRZSA-N
MW332.42 g/mol
LogP2.29
Rot. Bonds4

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

1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 165389422) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID165389422
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc([C@H]2CCN(CCCF)C2)c2c3c(c(=O)[nH]c21)CCCC3
InChIInChI=1S/C18H25FN4O/c1-22-17-15(13-5-2-3-6-14(13)18(24)20-17)16(21-22)12-7-10-23(11-12)9-4-8-19/h12H,2-11H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyNOFRJPGKXIPXSA-LBPRGKRZSA-N
XLogP2.29
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-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
5-Tert-butyl-3-methyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875699
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875702
4-[(2R)-2-propan-2-ylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydropyrazolo[5,4-c]isoquinolin-5-one
CID 69181235
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 165389422) is 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cn1nc([C@H]2CCN(CCCF)C2)c2c3c(c(=O)[nH]c21)CCCC3.
What is the InChIKey of 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is NOFRJPGKXIPXSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-22-17-15(13-5-2-3-6-14(13)18(24)20-17)16(21-22)12-7-10-23(11-12)9-4-8-19/h12H,2-11H2,1H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 332.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-3-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 165389422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).