(1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

C24H25N5O3S — CID 62705832

IUPAC(1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CC2CN(c3ccncc3)CC2C1
InChIInChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2
InChIKeyVORKZGMPBYXFTH-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.85
Rot. Bonds4

About (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

(1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 62705832) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID62705832
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name(1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CC2CN(c3ccncc3)CC2C1
InChIInChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2
InChIKeyVORKZGMPBYXFTH-UHFFFAOYSA-N
XLogP1.85
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone 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-(5-Isoquinolinylsulfonyl)-3-azetidinyl][4-(4-pyridinyl)-1-piperazinyl]-methanone
CID 62705488
[1-(1-Chloroisoquinolin-5-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705656
[4-(2-Chloro-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
CID 62705660
[4-(2,6-Dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
CID 62705661
(1-Isoquinolin-5-ylsulfonylazetidin-3-yl)-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 62705830
(1-Isoquinolin-5-ylsulfonylazetidin-3-yl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 62705831
Isoquinolinesulfon-5-yl-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amide
CID 16748740
(4-Pyridin-4-ylpiperazin-1-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone
CID 62705151
(4-Pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone
CID 62705152
[1-(3-Chloroisoquinolin-5-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705657
[1-(3-Methylisoquinolin-5-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705658
[1-(3-Methylisoquinolin-5-yl)sulfonylazetidin-3-yl]-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 62705834

Frequently Asked Questions

What is the IUPAC name of (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 62705832) is (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CC2CN(c3ccncc3)CC2C1.
What is the InChIKey of (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is VORKZGMPBYXFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2.
What are the key properties of (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
(1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 463.56 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoquinolin-5-ylsulfonylazetidin-3-yl)-(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 62705832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).