(1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone

C19H15F3N4O3S — CID 118077805

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone
SMILESO=C(c1cnc2cncc(-c3ccc(C(F)(F)F)cc3)c2n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H15F3N4O3S/c20-19(21,22)13-3-1-12(2-4-13)14-9-23-10-15-17(14)25-16(11-24-15)18(27)26-5-7-30(28,29)8-6-26/h1-4,9-11H,5-8H2
InChIKeyFQXHEWIUEBHOSS-UHFFFAOYSA-N
MW436.42 g/mol
LogP2.58
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone (PubChem CID 118077805) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone
PubChem CID118077805
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone
SMILESO=C(c1cnc2cncc(-c3ccc(C(F)(F)F)cc3)c2n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H15F3N4O3S/c20-19(21,22)13-3-1-12(2-4-13)14-9-23-10-15-17(14)25-16(11-24-15)18(27)26-5-7-30(28,29)8-6-26/h1-4,9-11H,5-8H2
InChIKeyFQXHEWIUEBHOSS-UHFFFAOYSA-N
XLogP2.58
TPSA93.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone (CID 118077805) is (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone is O=C(c1cnc2cncc(-c3ccc(C(F)(F)F)cc3)c2n1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone?
The InChIKey is FQXHEWIUEBHOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c20-19(21,22)13-3-1-12(2-4-13)14-9-23-10-15-17(14)25-16(11-24-15)18(27)26-5-7-30(28,29)8-6-26/h1-4,9-11H,5-8H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone has a molecular weight of 436.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]methanone is sourced from PubChem (CID 118077805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).