2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid

C15H18FN3O4 — CID 154932933

IUPAC2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
SMILESCCc1nc2c(F)cc(NC(C)(C)C(=O)O)cn2c(=O)c1OC
InChIInChI=1S/C15H18FN3O4/c1-5-10-11(23-4)13(20)19-7-8(6-9(16)12(19)17-10)18-15(2,3)14(21)22/h6-7,18H,5H2,1-4H3,(H,21,22)
InChIKeyWIRPKUPLIZMSGO-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.68
Rot. Bonds5

About 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid

2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid (PubChem CID 154932933) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
PubChem CID154932933
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Name2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
SMILESCCc1nc2c(F)cc(NC(C)(C)C(=O)O)cn2c(=O)c1OC
InChIInChI=1S/C15H18FN3O4/c1-5-10-11(23-4)13(20)19-7-8(6-9(16)12(19)17-10)18-15(2,3)14(21)22/h6-7,18H,5H2,1-4H3,(H,21,22)
InChIKeyWIRPKUPLIZMSGO-UHFFFAOYSA-N
XLogP1.68
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid 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 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid (CID 154932933) is 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid is CCc1nc2c(F)cc(NC(C)(C)C(=O)O)cn2c(=O)c1OC.
What is the InChIKey of 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The InChIKey is WIRPKUPLIZMSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4/c1-5-10-11(23-4)13(20)19-7-8(6-9(16)12(19)17-10)18-15(2,3)14(21)22/h6-7,18H,5H2,1-4H3,(H,21,22).
What are the key properties of 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid has a molecular weight of 323.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 154932933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).