6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one

C17H13F3N4O2 — CID 168825421

IUPAC6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
SMILESO=c1c2nccnc2c(-c2ccc(OC(F)(F)F)cc2)cn1C1CNC1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)26-12-3-1-10(2-4-12)13-9-24(11-7-21-8-11)16(25)15-14(13)22-5-6-23-15/h1-6,9,11,21H,7-8H2
InChIKeyXONNAWQFEJLUBH-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.50
Rot. Bonds3

About 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one

6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one (PubChem CID 168825421) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
PubChem CID168825421
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
SMILESO=c1c2nccnc2c(-c2ccc(OC(F)(F)F)cc2)cn1C1CNC1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)26-12-3-1-10(2-4-12)13-9-24(11-7-21-8-11)16(25)15-14(13)22-5-6-23-15/h1-6,9,11,21H,7-8H2
InChIKeyXONNAWQFEJLUBH-UHFFFAOYSA-N
XLogP2.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
CID 118426615
1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol
CID 168825271
3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71133733
(9aS)-3-[4-(trifluoromethoxy)phenyl]-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-d][1,2,4]triazin-4-one
CID 137359087
5-[4-(trifluoromethoxy)phenyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one;hydrochloride
CID 131730791
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one
CID 141223187
3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091587
tert-butyl N-[[5-ethenyl-8-[4-(trifluoromethoxy)phenyl]quinoxalin-6-yl]methyl]carbamate
CID 168825643
N-[[5-(1-hydroxyethyl)-8-[4-(trifluoromethoxy)phenyl]quinoxalin-6-yl]methyl]prop-2-enamide
CID 168825296
1-(pyrazine-2-carbonyl)-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 175883753
3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine
CID 175268582

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?
The IUPAC name of 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one (CID 168825421) is 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one is O=c1c2nccnc2c(-c2ccc(OC(F)(F)F)cc2)cn1C1CNC1.
What is the InChIKey of 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?
The InChIKey is XONNAWQFEJLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)26-12-3-1-10(2-4-12)13-9-24(11-7-21-8-11)16(25)15-14(13)22-5-6-23-15/h1-6,9,11,21H,7-8H2.
What are the key properties of 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?
6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one has a molecular weight of 362.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 168825421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).