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

C24H25N5O3S — CID 62705833

IUPAC(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccc3ncccc23)C1)N1CC2CN(c3ccncc3)CC2C1
InChIInChI=1S/C24H25N5O3S/c30-24(28-13-17-11-27(12-18(17)14-28)20-6-9-25-10-7-20)19-15-29(16-19)33(31,32)23-5-1-4-22-21(23)3-2-8-26-22/h1-10,17-19H,11-16H2
InChIKeyTWSLIEXKXHDZJX-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.85
Rot. Bonds4

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

(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone (PubChem CID 62705833) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone.

Molecular Properties

Compound Name(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone
PubChem CID62705833
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccc3ncccc23)C1)N1CC2CN(c3ccncc3)CC2C1
InChIInChI=1S/C24H25N5O3S/c30-24(28-13-17-11-27(12-18(17)14-28)20-6-9-25-10-7-20)19-15-29(16-19)33(31,32)23-5-1-4-22-21(23)3-2-8-26-22/h1-10,17-19H,11-16H2
InChIKeyTWSLIEXKXHDZJX-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 (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-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

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone?
The IUPAC name of (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone (CID 62705833) is (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone.
What is the SMILES notation for (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone?
The canonical SMILES for (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone is O=C(C1CN(S(=O)(=O)c2cccc3ncccc23)C1)N1CC2CN(c3ccncc3)CC2C1.
What is the InChIKey of (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone?
The InChIKey is TWSLIEXKXHDZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c30-24(28-13-17-11-27(12-18(17)14-28)20-6-9-25-10-7-20)19-15-29(16-19)33(31,32)23-5-1-4-22-21(23)3-2-8-26-22/h1-10,17-19H,11-16H2.
What are the key properties of (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone?
(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-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 (2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone is sourced from PubChem (CID 62705833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).