[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone

C24H27N5O3S — CID 62705661

IUPAC[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
SMILESCc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)cc(C)n1
InChIInChI=1S/C24H27N5O3S/c1-17-12-21(13-18(2)26-17)27-8-10-28(11-9-27)24(30)20-15-29(16-20)33(31,32)23-5-3-4-19-14-25-7-6-22(19)23/h3-7,12-14,20H,8-11,15-16H2,1-2H3
InChIKeyQMELLIPFZDVVRN-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.22
Rot. Bonds4

About [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone

[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone (PubChem CID 62705661) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
PubChem CID62705661
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
SMILESCc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)cc(C)n1
InChIInChI=1S/C24H27N5O3S/c1-17-12-21(13-18(2)26-17)27-8-10-28(11-9-27)24(30)20-15-29(16-20)33(31,32)23-5-3-4-19-14-25-7-6-22(19)23/h3-7,12-14,20H,8-11,15-16H2,1-2H3
InChIKeyQMELLIPFZDVVRN-UHFFFAOYSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-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

Related Compounds

Cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
CID 138105924
Cyclohexyl{4-[(Isoquinolin-5-Yl)sulfonyl]piperazin-1-Yl}methanone
CID 71589139
2-(4-Fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
CID 138105930
2-Cyclohexyl-1-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]ethanone
CID 138753214
[4-(2-Fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5308986
[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
(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
[Hexahydro-5-(4-pyridinyl)pyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(5-isoquinolinylsulfonyl)-3-azetidinyl]-methanone
CID 62705832
5-((4-Methyl-[1,4'-bipiperidin]-1'-yl)sulfonyl)isoquinoline
CID 118308374

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone?
The IUPAC name of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone (CID 62705661) is [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone?
The canonical SMILES for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone is Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)cc(C)n1.
What is the InChIKey of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone?
The InChIKey is QMELLIPFZDVVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-17-12-21(13-18(2)26-17)27-8-10-28(11-9-27)24(30)20-15-29(16-20)33(31,32)23-5-3-4-19-14-25-7-6-22(19)23/h3-7,12-14,20H,8-11,15-16H2,1-2H3.
What are the key properties of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone?
[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone has a molecular weight of 465.58 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone is sourced from PubChem (CID 62705661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).