1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide

C25H23F3N6O3 — CID 53233674

IUPAC1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide
SMILESCN1C(=O)CN(C(=O)Nc2cccc(N3CCOCC3)n2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C25H23F3N6O3/c1-32-19-9-8-18(16-4-2-5-17(14-16)25(26,27)28)29-23(19)34(15-22(32)35)24(36)31-20-6-3-7-21(30-20)33-10-12-37-13-11-33/h2-9,14H,10-13,15H2,1H3,(H,30,31,36)
InChIKeyOCWKXBOHKAXSKK-UHFFFAOYSA-N
MW512.49 g/mol
LogP4.01
Rot. Bonds3

About 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide

1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 53233674) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID53233674
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC Name1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide
SMILESCN1C(=O)CN(C(=O)Nc2cccc(N3CCOCC3)n2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C25H23F3N6O3/c1-32-19-9-8-18(16-4-2-5-17(14-16)25(26,27)28)29-23(19)34(15-22(32)35)24(36)31-20-6-3-7-21(30-20)33-10-12-37-13-11-33/h2-9,14H,10-13,15H2,1H3,(H,30,31,36)
InChIKeyOCWKXBOHKAXSKK-UHFFFAOYSA-N
XLogP4.01
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide (CID 53233674) is 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide is CN1C(=O)CN(C(=O)Nc2cccc(N3CCOCC3)n2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is OCWKXBOHKAXSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-32-19-9-8-18(16-4-2-5-17(14-16)25(26,27)28)29-23(19)34(15-22(32)35)24(36)31-20-6-3-7-21(30-20)33-10-12-37-13-11-33/h2-9,14H,10-13,15H2,1H3,(H,30,31,36).
What are the key properties of 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide?
1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 512.49 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 53233674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).