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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

C24H28F2N4O6 — CID 148971316

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

IUPACN-[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
SMILESCOCCN1CN(CCN(C)C(C)=O)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H28F2N4O6/c1-15(31)27(2)8-9-29-14-28(10-11-36-3)24(35)21-23(34)22(33)18(13-30(21)29)20(32)7-5-16-4-6-17(25)12-19(16)26/h4,6,12-13,34H,5,7-11,14H2,1-3H3
InChIKeyPTXRRFUEJCFVHI-UHFFFAOYSA-N
MW506.51 g/mol
LogP1.12
Rot. Bonds10

About 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

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 (PubChem CID 148971316) has the molecular formula C24H28F2N4O6 and a molecular weight of 506.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID148971316
Molecular FormulaC24H28F2N4O6
Molecular Weight506.51 g/mol
Exact Mass506.20
IUPAC NameN-[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
SMILESCOCCN1CN(CCN(C)C(C)=O)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H28F2N4O6/c1-15(31)27(2)8-9-29-14-28(10-11-36-3)24(35)21-23(34)22(33)18(13-30(21)29)20(32)7-5-16-4-6-17(25)12-19(16)26/h4,6,12-13,34H,5,7-11,14H2,1-3H3
InChIKeyPTXRRFUEJCFVHI-UHFFFAOYSA-N
XLogP1.12
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.51
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCN1CN(CCN(C)C(C)=O)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(O)c2C1=O.
What is the InChIKey of 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?
The InChIKey is PTXRRFUEJCFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O6/c1-15(31)27(2)8-9-29-14-28(10-11-36-3)24(35)21-23(34)22(33)18(13-30(21)29)20(32)7-5-16-4-6-17(25)12-19(16)26/h4,6,12-13,34H,5,7-11,14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 506.51 g/mol, XLogP of 1.12, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 148971316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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