1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one

C20H19N5O4S — CID 23004574

IUPAC1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one
SMILESCn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3c21
InChIInChI=1S/C20H19N5O4S/c1-23-13-22-18-19(23)15-12-14(5-6-16(15)29-20(18)26)30(27,28)25-10-8-24(9-11-25)17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3
InChIKeyJGPGVAVSSALFGS-UHFFFAOYSA-N
MW425.47 g/mol
LogP1.59
Rot. Bonds3

About 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one

1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one (PubChem CID 23004574) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one
PubChem CID23004574
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC Name1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one
SMILESCn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3c21
InChIInChI=1S/C20H19N5O4S/c1-23-13-22-18-19(23)15-12-14(5-6-16(15)29-20(18)26)30(27,28)25-10-8-24(9-11-25)17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3
InChIKeyJGPGVAVSSALFGS-UHFFFAOYSA-N
XLogP1.59
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-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-methyl-8-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylchromeno[3,4-d]imidazol-4-one
CID 46277841
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine
CID 46283650
N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
CID 20917139
1-(5-bromo-2-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 17460713
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
formic acid;1-(3-phenylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 172910349
1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68551823

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one (CID 23004574) is 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one is Cn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3c21.
What is the InChIKey of 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one?
The InChIKey is JGPGVAVSSALFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-23-13-22-18-19(23)15-12-14(5-6-16(15)29-20(18)26)30(27,28)25-10-8-24(9-11-25)17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one?
1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one has a molecular weight of 425.47 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 23004574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).