9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione

C21H16F3N5O2 — CID 155690281

IUPAC9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
SMILESCN1CCN(c2ccc3nc4c(nc3c2C(F)(F)F)C(=O)c2ncccc2C4=O)CC1
InChIInChI=1S/C21H16F3N5O2/c1-28-7-9-29(10-8-28)13-5-4-12-16(14(13)21(22,23)24)27-18-17(26-12)19(30)11-3-2-6-25-15(11)20(18)31/h2-6H,7-10H2,1H3
InChIKeyFGCVWBSKPQQHOO-UHFFFAOYSA-N
MW427.39 g/mol
LogP2.57
Rot. Bonds1

About 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione

9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione (PubChem CID 155690281) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione.

Molecular Properties

Compound Name9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
PubChem CID155690281
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
SMILESCN1CCN(c2ccc3nc4c(nc3c2C(F)(F)F)C(=O)c2ncccc2C4=O)CC1
InChIInChI=1S/C21H16F3N5O2/c1-28-7-9-29(10-8-28)13-5-4-12-16(14(13)21(22,23)24)27-18-17(26-12)19(30)11-3-2-6-25-15(11)20(18)31/h2-6H,7-10H2,1H3
InChIKeyFGCVWBSKPQQHOO-UHFFFAOYSA-N
XLogP2.57
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 162512367
9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione
CID 155690289
7-chloro-6-[[2,3,6-trifluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]quinoline-5,8-dione
CID 165046397
9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
CID 155690252
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
6-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-7-chloroquinoline-5,8-dione
CID 155690302
9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690295
4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide
CID 171512798
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
1-[3-[4-(4-methyl-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]propyl]-2-oxidotriazolo[4,5-g]quinolin-2-ium-4,9-dione
CID 130328513

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione?
The IUPAC name of 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione (CID 155690281) is 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione.
What is the SMILES notation for 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione?
The canonical SMILES for 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione is CN1CCN(c2ccc3nc4c(nc3c2C(F)(F)F)C(=O)c2ncccc2C4=O)CC1.
What is the InChIKey of 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione?
The InChIKey is FGCVWBSKPQQHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-28-7-9-29(10-8-28)13-5-4-12-16(14(13)21(22,23)24)27-18-17(26-12)19(30)11-3-2-6-25-15(11)20(18)31/h2-6H,7-10H2,1H3.
What are the key properties of 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione?
9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione has a molecular weight of 427.39 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione is sourced from PubChem (CID 155690281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).