methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C18H18FN3O4 — CID 2920253

IUPACmethyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O4/c1-9-12(17(24)26-4)13(10-5-7-11(19)8-6-10)14-15(20-9)21(2)18(25)22(3)16(14)23/h5-8,13,20H,1-4H3
InChIKeyRUHUYWALKZZJJH-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.23
Rot. Bonds2

About methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2920253) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID2920253
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Namemethyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O4/c1-9-12(17(24)26-4)13(10-5-7-11(19)8-6-10)14-15(20-9)21(2)18(25)22(3)16(14)23/h5-8,13,20H,1-4H3
InChIKeyRUHUYWALKZZJJH-UHFFFAOYSA-N
XLogP1.23
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 2920253) is methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(F)cc1.
What is the InChIKey of methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RUHUYWALKZZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-9-12(17(24)26-4)13(10-5-7-11(19)8-6-10)14-15(20-9)21(2)18(25)22(3)16(14)23/h5-8,13,20H,1-4H3.
What are the key properties of methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 359.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2920253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).