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

C16H20FN3O4 — CID 147107455

IUPACmethyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1nc2c(F)cc(NC(C)(C)C(=O)OC)cn2c(=O)c1OC
InChIInChI=1S/C16H20FN3O4/c1-6-11-12(23-4)14(21)20-8-9(7-10(17)13(20)18-11)19-16(2,3)15(22)24-5/h7-8,19H,6H2,1-5H3
InChIKeyBLVNQVGRWWTFNC-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.77
Rot. Bonds5

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

methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (PubChem CID 147107455) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
PubChem CID147107455
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Namemethyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1nc2c(F)cc(NC(C)(C)C(=O)OC)cn2c(=O)c1OC
InChIInChI=1S/C16H20FN3O4/c1-6-11-12(23-4)14(21)20-8-9(7-10(17)13(20)18-11)19-16(2,3)15(22)24-5/h7-8,19H,6H2,1-5H3
InChIKeyBLVNQVGRWWTFNC-UHFFFAOYSA-N
XLogP1.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate with MolForge

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Related Compounds

Methyl 2-[(9-fluoro-2-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 148111839
Methyl 2-[(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 148216837
Methyl 2-[[9-fluoro-2-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]amino]-2-methylpropanoate
CID 148334645
2-[(2-Ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 148923330
Methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 149381722
2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide
CID 149392687
2-[(2-Ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 153038473
Methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 153129342
2-[(2-Ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 154932933
Ethyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 163780970
2-[(2-Ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 146982611
Methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 147304410

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (CID 147107455) is methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is CCc1nc2c(F)cc(NC(C)(C)C(=O)OC)cn2c(=O)c1OC.
What is the InChIKey of methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The InChIKey is BLVNQVGRWWTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-6-11-12(23-4)14(21)20-8-9(7-10(17)13(20)18-11)19-16(2,3)15(22)24-5/h7-8,19H,6H2,1-5H3.
What are the key properties of methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate has a molecular weight of 337.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 147107455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).