2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one

C20H13F3N4O2 — CID 154657626

IUPAC2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCOc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H13F3N4O2/c1-29-15-10-12(5-7-24-15)16-17(11-3-2-4-13(9-11)20(21,22)23)27-19-18(26-16)14(28)6-8-25-19/h2-10H,1H3,(H,25,27,28)
InChIKeyGHMDCTYJVXNXFB-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.07
Rot. Bonds3

About 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one

2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154657626) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154657626
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCOc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H13F3N4O2/c1-29-15-10-12(5-7-24-15)16-17(11-3-2-4-13(9-11)20(21,22)23)27-19-18(26-16)14(28)6-8-25-19/h2-10H,1H3,(H,25,27,28)
InChIKeyGHMDCTYJVXNXFB-UHFFFAOYSA-N
XLogP4.07
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one (CID 154657626) is 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one is COc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is GHMDCTYJVXNXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c1-29-15-10-12(5-7-24-15)16-17(11-3-2-4-13(9-11)20(21,22)23)27-19-18(26-16)14(28)6-8-25-19/h2-10H,1H3,(H,25,27,28).
What are the key properties of 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one?
2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 398.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154657626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).