7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C22H24F2N4O5 — CID 158340954

IUPAC7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C(CCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N(CCN1CCOCC1)CN2
InChIInChI=1S/C22H24F2N4O5/c23-15-3-1-14(17(24)11-15)2-4-18(29)16-12-28-19(21(31)20(16)30)22(32)27(13-25-28)6-5-26-7-9-33-10-8-26/h1,3,11-12,25,31H,2,4-10,13H2
InChIKeyGRDPNUBQGBJFCY-UHFFFAOYSA-N
MW462.45 g/mol
LogP0.94
Rot. Bonds7

About 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 158340954) has the molecular formula C22H24F2N4O5 and a molecular weight of 462.45 g/mol. Its IUPAC name is 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID158340954
Molecular FormulaC22H24F2N4O5
Molecular Weight462.45 g/mol
Exact Mass462.17
IUPAC Name7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C(CCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N(CCN1CCOCC1)CN2
InChIInChI=1S/C22H24F2N4O5/c23-15-3-1-14(17(24)11-15)2-4-18(29)16-12-28-19(21(31)20(16)30)22(32)27(13-25-28)6-5-26-7-9-33-10-8-26/h1,3,11-12,25,31H,2,4-10,13H2
InChIKeyGRDPNUBQGBJFCY-UHFFFAOYSA-N
XLogP0.94
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-hydroxyethyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazine-7-carboxamide
CID 139426988
N-[2-[7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazin-1-yl]ethyl]-N-methylacetamide
CID 148971316
7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2-(2-methoxyethyl)-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
CID 158428990
7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-methyl-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 162170932
1-benzyl-7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 159999564
7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
CID 149086587
1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane
CID 157251256
(10S)-4-[3-(2,4-difluorophenyl)propanoyl]-9-ethyl-6-hydroxy-12-oxa-1,2,9-triazatricyclo[8.5.0.02,7]pentadeca-3,6-diene-5,8-dione
CID 158911665
carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 162031405
7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-methoxyethyl)-1-(thiophen-3-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 147646990
12-[3-(2,4-difluorophenyl)propanoyl]-10-hydroxy-6-methyl-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 76735758
5-hydroxy-3-(2-hydroxyethyl)-4,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2-dihydropyrido[2,1-f][1,2,4]triazine-7-carboxamide
CID 139427037

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 158340954) is 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is O=C(CCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N(CCN1CCOCC1)CN2.
What is the InChIKey of 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is GRDPNUBQGBJFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O5/c23-15-3-1-14(17(24)11-15)2-4-18(29)16-12-28-19(21(31)20(16)30)22(32)27(13-25-28)6-5-26-7-9-33-10-8-26/h1,3,11-12,25,31H,2,4-10,13H2.
What are the key properties of 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 462.45 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-morpholin-4-ylethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 158340954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).