methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate

C19H17F2N3O4 — CID 144880619

IUPACmethyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2ccc(CN3C=CNCC3=O)c(F)c2F)c1
InChIInChI=1S/C19H17F2N3O4/c1-28-19(27)14-4-5-15(25)24(11-14)10-13-3-2-12(17(20)18(13)21)9-23-7-6-22-8-16(23)26/h2-7,11,22H,8-10H2,1H3
InChIKeyOLSWRBVAZPZKBN-UHFFFAOYSA-N
MW389.36 g/mol
LogP1.36
Rot. Bonds5

About methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate

methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate (PubChem CID 144880619) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
PubChem CID144880619
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Namemethyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2ccc(CN3C=CNCC3=O)c(F)c2F)c1
InChIInChI=1S/C19H17F2N3O4/c1-28-19(27)14-4-5-15(25)24(11-14)10-13-3-2-12(17(20)18(13)21)9-23-7-6-22-8-16(23)26/h2-7,11,22H,8-10H2,1H3
InChIKeyOLSWRBVAZPZKBN-UHFFFAOYSA-N
XLogP1.36
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate (CID 144880619) is methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(Cc2ccc(CN3C=CNCC3=O)c(F)c2F)c1.
What is the InChIKey of methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is OLSWRBVAZPZKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-28-19(27)14-4-5-15(25)24(11-14)10-13-3-2-12(17(20)18(13)21)9-23-7-6-22-8-16(23)26/h2-7,11,22H,8-10H2,1H3.
What are the key properties of methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 389.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2,3-difluoro-4-[(3-oxo-1,2-dihydropyrazin-4-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 144880619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).