7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C26H22F2N4O6 — CID 159461308

IUPAC7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)CCc4ccc(F)cc4F)cn32)no1
InChIInChI=1S/C26H22F2N4O6/c1-15-9-18(29-38-15)11-31-14-30(12-19-3-2-8-37-19)26(36)23-25(35)24(34)20(13-32(23)31)22(33)7-5-16-4-6-17(27)10-21(16)28/h2-4,6,8-10,13,35H,5,7,11-12,14H2,1H3
InChIKeyUEGRVXONUOJHLN-UHFFFAOYSA-N
MW524.48 g/mol
LogP3.29
Rot. Bonds8

About 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 159461308) has the molecular formula C26H22F2N4O6 and a molecular weight of 524.48 g/mol. Its IUPAC name is 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID159461308
Molecular FormulaC26H22F2N4O6
Molecular Weight524.48 g/mol
Exact Mass524.15
IUPAC Name7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)CCc4ccc(F)cc4F)cn32)no1
InChIInChI=1S/C26H22F2N4O6/c1-15-9-18(29-38-15)11-31-14-30(12-19-3-2-8-37-19)26(36)23-25(35)24(34)20(13-32(23)31)22(33)7-5-16-4-6-17(27)10-21(16)28/h2-4,6,8-10,13,35H,5,7,11-12,14H2,1H3
InChIKeyUEGRVXONUOJHLN-UHFFFAOYSA-N
XLogP3.29
TPSA122.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 159461308) is 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is Cc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)CCc4ccc(F)cc4F)cn32)no1.
What is the InChIKey of 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is UEGRVXONUOJHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O6/c1-15-9-18(29-38-15)11-31-14-30(12-19-3-2-8-37-19)26(36)23-25(35)24(34)20(13-32(23)31)22(33)7-5-16-4-6-17(27)10-21(16)28/h2-4,6,8-10,13,35H,5,7,11-12,14H2,1H3.
What are the key properties of 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 524.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,4-difluorophenyl)propanoyl]-3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 159461308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).