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

C23H28FN3O4 — CID 134914338

IUPACethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCn1c2c(c(=O)n(CCC)c1=O)C(c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2
InChIInChI=1S/C23H28FN3O4/c1-5-12-26-20-19(21(28)27(13-6-2)23(26)30)18(15-8-10-16(24)11-9-15)17(14(4)25-20)22(29)31-7-3/h8-11,18,25H,5-7,12-13H2,1-4H3
InChIKeyILSFRJSJAYABEW-UHFFFAOYSA-N
MW429.49 g/mol
LogP3.36
Rot. Bonds7

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

ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 134914338) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID134914338
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Nameethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCn1c2c(c(=O)n(CCC)c1=O)C(c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2
InChIInChI=1S/C23H28FN3O4/c1-5-12-26-20-19(21(28)27(13-6-2)23(26)30)18(15-8-10-16(24)11-9-15)17(14(4)25-20)22(29)31-7-3/h8-11,18,25H,5-7,12-13H2,1-4H3
InChIKeyILSFRJSJAYABEW-UHFFFAOYSA-N
XLogP3.36
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 134914338) is ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCCn1c2c(c(=O)n(CCC)c1=O)C(c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ILSFRJSJAYABEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4/c1-5-12-26-20-19(21(28)27(13-6-2)23(26)30)18(15-8-10-16(24)11-9-15)17(14(4)25-20)22(29)31-7-3/h8-11,18,25H,5-7,12-13H2,1-4H3.
What are the key properties of ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 429.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 134914338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).