N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide

C26H26FN5O4 — CID 59717495

IUPACN-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
SMILESCCc1ccc(Nc2c3c(=O)n(C)c(=O)n(-c4cccc(NC(C)=O)c4)c3c(C)c(=O)n2C)c(F)c1
InChIInChI=1S/C26H26FN5O4/c1-6-16-10-11-20(19(27)12-16)29-23-21-22(14(2)24(34)30(23)4)32(26(36)31(5)25(21)35)18-9-7-8-17(13-18)28-15(3)33/h7-13,29H,6H2,1-5H3,(H,28,33)
InChIKeyYNRCYLTXABAFHL-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.10
Rot. Bonds5

About N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide

N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide (PubChem CID 59717495) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
PubChem CID59717495
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC NameN-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
SMILESCCc1ccc(Nc2c3c(=O)n(C)c(=O)n(-c4cccc(NC(C)=O)c4)c3c(C)c(=O)n2C)c(F)c1
InChIInChI=1S/C26H26FN5O4/c1-6-16-10-11-20(19(27)12-16)29-23-21-22(14(2)24(34)30(23)4)32(26(36)31(5)25(21)35)18-9-7-8-17(13-18)28-15(3)33/h7-13,29H,6H2,1-5H3,(H,28,33)
InChIKeyYNRCYLTXABAFHL-UHFFFAOYSA-N
XLogP3.10
TPSA107.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide (CID 59717495) is N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide is CCc1ccc(Nc2c3c(=O)n(C)c(=O)n(-c4cccc(NC(C)=O)c4)c3c(C)c(=O)n2C)c(F)c1.
What is the InChIKey of N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide?
The InChIKey is YNRCYLTXABAFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-6-16-10-11-20(19(27)12-16)29-23-21-22(14(2)24(34)30(23)4)32(26(36)31(5)25(21)35)18-9-7-8-17(13-18)28-15(3)33/h7-13,29H,6H2,1-5H3,(H,28,33).
What are the key properties of N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide?
N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide has a molecular weight of 491.52 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 59717495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).