2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide

C23H22F2N6O4 — CID 155209404

IUPAC2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide
SMILESCOCCn1cc(C2=C(c3ncco3)N(Cc3c(F)cccc3F)C(N)C(C(N)=O)=N2)ccc1=O
InChIInChI=1S/C23H22F2N6O4/c1-34-10-8-30-11-13(5-6-17(30)32)18-20(23-28-7-9-35-23)31(21(26)19(29-18)22(27)33)12-14-15(24)3-2-4-16(14)25/h2-7,9,11,21H,8,10,12,26H2,1H3,(H2,27,33)
InChIKeyIFUCEVAKOZRJPL-UHFFFAOYSA-N
MW484.46 g/mol
LogP1.31
Rot. Bonds8

About 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide

2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide (PubChem CID 155209404) has the molecular formula C23H22F2N6O4 and a molecular weight of 484.46 g/mol. Its IUPAC name is 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide
PubChem CID155209404
Molecular FormulaC23H22F2N6O4
Molecular Weight484.46 g/mol
Exact Mass484.17
IUPAC Name2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide
SMILESCOCCn1cc(C2=C(c3ncco3)N(Cc3c(F)cccc3F)C(N)C(C(N)=O)=N2)ccc1=O
InChIInChI=1S/C23H22F2N6O4/c1-34-10-8-30-11-13(5-6-17(30)32)18-20(23-28-7-9-35-23)31(21(26)19(29-18)22(27)33)12-14-15(24)3-2-4-16(14)25/h2-7,9,11,21H,8,10,12,26H2,1H3,(H2,27,33)
InChIKeyIFUCEVAKOZRJPL-UHFFFAOYSA-N
XLogP1.31
TPSA141.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide?
The IUPAC name of 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide (CID 155209404) is 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide.
What is the SMILES notation for 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide?
The canonical SMILES for 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide is COCCn1cc(C2=C(c3ncco3)N(Cc3c(F)cccc3F)C(N)C(C(N)=O)=N2)ccc1=O.
What is the InChIKey of 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide?
The InChIKey is IFUCEVAKOZRJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O4/c1-34-10-8-30-11-13(5-6-17(30)32)18-20(23-28-7-9-35-23)31(21(26)19(29-18)22(27)33)12-14-15(24)3-2-4-16(14)25/h2-7,9,11,21H,8,10,12,26H2,1H3,(H2,27,33).
What are the key properties of 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide?
2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide has a molecular weight of 484.46 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2,6-difluorophenyl)methyl]-5-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-6-(1,3-oxazol-2-yl)-2H-pyrazine-3-carboxamide is sourced from PubChem (CID 155209404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).