9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione

C20H17N5O4S — CID 162512367

IUPAC9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
SMILESCS(=O)(=O)N1CCN(c2ccc3nc4c(nc3c2)C(=O)c2ncccc2C4=O)CC1
InChIInChI=1S/C20H17N5O4S/c1-30(28,29)25-9-7-24(8-10-25)12-4-5-14-15(11-12)23-18-17(22-14)19(26)13-3-2-6-21-16(13)20(18)27/h2-6,11H,7-10H2,1H3
InChIKeyHOAAWLBRLWZJIE-UHFFFAOYSA-N
MW423.45 g/mol
LogP0.88
Rot. Bonds2

About 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione

9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione (PubChem CID 162512367) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione.

Molecular Properties

Compound Name9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
PubChem CID162512367
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC Name9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
SMILESCS(=O)(=O)N1CCN(c2ccc3nc4c(nc3c2)C(=O)c2ncccc2C4=O)CC1
InChIInChI=1S/C20H17N5O4S/c1-30(28,29)25-9-7-24(8-10-25)12-4-5-14-15(11-12)23-18-17(22-14)19(26)13-3-2-6-21-16(13)20(18)27/h2-6,11H,7-10H2,1H3
InChIKeyHOAAWLBRLWZJIE-UHFFFAOYSA-N
XLogP0.88
TPSA113.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione
CID 155690289
10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690294
9-pyrrolidin-1-yl-8-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
CID 157105914
9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690281
2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643427
9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690295
2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 2997171
6-(1-methylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082631
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
CID 171715791
6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
CID 67206897
3-(4-methylsulfonylpiperazin-1-yl)phenol
CID 640050

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione?
The IUPAC name of 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione (CID 162512367) is 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione.
What is the SMILES notation for 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione?
The canonical SMILES for 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione is CS(=O)(=O)N1CCN(c2ccc3nc4c(nc3c2)C(=O)c2ncccc2C4=O)CC1.
What is the InChIKey of 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione?
The InChIKey is HOAAWLBRLWZJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-30(28,29)25-9-7-24(8-10-25)12-4-5-14-15(11-12)23-18-17(22-14)19(26)13-3-2-6-21-16(13)20(18)27/h2-6,11H,7-10H2,1H3.
What are the key properties of 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione?
9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione has a molecular weight of 423.45 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione is sourced from PubChem (CID 162512367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).