4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one

C18H17F3N4O — CID 87054607

IUPAC4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)n1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21
InChIInChI=1S/C18H17F3N4O/c1-11(2)25-15-10-22-7-6-14(15)24-16(17(25)26)23-9-12-4-3-5-13(8-12)18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,23,24)
InChIKeyZZADHDANLOQQSU-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.00
Rot. Bonds4

About 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one

4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054607) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
PubChem CID87054607
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)n1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21
InChIInChI=1S/C18H17F3N4O/c1-11(2)25-15-10-22-7-6-14(15)24-16(17(25)26)23-9-12-4-3-5-13(8-12)18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,23,24)
InChIKeyZZADHDANLOQQSU-UHFFFAOYSA-N
XLogP4.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one (CID 87054607) is 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one is CC(C)n1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21.
What is the InChIKey of 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is ZZADHDANLOQQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-11(2)25-15-10-22-7-6-14(15)24-16(17(25)26)23-9-12-4-3-5-13(8-12)18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,23,24).
What are the key properties of 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 362.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).