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

C26H26F2N4O6 — CID 158844790

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-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/C26H26F2N4O6/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/h4,6,9-10,13,19,35H,2-3,5,7-8,11-12,14H2,1H3
InChIKeyGQJQALDXTYNGMV-UHFFFAOYSA-N
MW528.51 g/mol
LogP2.67
Rot. Bonds8

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

7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 158844790) has the molecular formula C26H26F2N4O6 and a molecular weight of 528.51 g/mol. Its IUPAC name is 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID158844790
Molecular FormulaC26H26F2N4O6
Molecular Weight528.51 g/mol
Exact Mass528.18
IUPAC Name7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-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/C26H26F2N4O6/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/h4,6,9-10,13,19,35H,2-3,5,7-8,11-12,14H2,1H3
InChIKeyGQJQALDXTYNGMV-UHFFFAOYSA-N
XLogP2.67
TPSA118.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 158844790) is 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-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]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is GQJQALDXTYNGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O6/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/h4,6,9-10,13,19,35H,2-3,5,7-8,11-12,14H2,1H3.
What are the key properties of 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 528.51 g/mol, XLogP of 2.67, 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]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 158844790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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