(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate

C22H13F6N7O3 — CID 87303335

IUPAC(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate
SMILESNC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1
InChIInChI=1S/C22H13F6N7O3/c23-21(24,25)10-1-4-16(31-7-10)33-12-5-6-30-19-18(12)32-8-14(35-19)17-11(22(26,27)28)2-3-13(34-17)20(37)38-9-15(29)36/h1-8H,9H2,(H2,29,36)(H,30,31,33,35)
InChIKeyFAZGGFCQNDLRNU-UHFFFAOYSA-N
MW537.38 g/mol
LogP3.91
Rot. Bonds6

About (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate

(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate (PubChem CID 87303335) has the molecular formula C22H13F6N7O3 and a molecular weight of 537.38 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate
PubChem CID87303335
Molecular FormulaC22H13F6N7O3
Molecular Weight537.38 g/mol
Exact Mass537.10
IUPAC Name(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate
SMILESNC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1
InChIInChI=1S/C22H13F6N7O3/c23-21(24,25)10-1-4-16(31-7-10)33-12-5-6-30-19-18(12)32-8-14(35-19)17-11(22(26,27)28)2-3-13(34-17)20(37)38-9-15(29)36/h1-8H,9H2,(H2,29,36)(H,30,31,33,35)
InChIKeyFAZGGFCQNDLRNU-UHFFFAOYSA-N
XLogP3.91
TPSA145.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate (CID 87303335) is (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate is NC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1.
What is the InChIKey of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate?
The InChIKey is FAZGGFCQNDLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F6N7O3/c23-21(24,25)10-1-4-16(31-7-10)33-12-5-6-30-19-18(12)32-8-14(35-19)17-11(22(26,27)28)2-3-13(34-17)20(37)38-9-15(29)36/h1-8H,9H2,(H2,29,36)(H,30,31,33,35).
What are the key properties of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate?
(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate has a molecular weight of 537.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carboxylate is sourced from PubChem (CID 87303335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).