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

C22H26FN3O4 — CID 134914414

IUPACmethyl 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)OC)=C(C)N2
InChIInChI=1S/C22H26FN3O4/c1-5-11-25-19-18(20(27)26(12-6-2)22(25)29)17(14-7-9-15(23)10-8-14)16(13(3)24-19)21(28)30-4/h7-10,17,24H,5-6,11-12H2,1-4H3
InChIKeySIPFVUIRAQOWJD-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.97
Rot. Bonds6

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

methyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 134914414) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID134914414
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Namemethyl 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)OC)=C(C)N2
InChIInChI=1S/C22H26FN3O4/c1-5-11-25-19-18(20(27)26(12-6-2)22(25)29)17(14-7-9-15(23)10-8-14)16(13(3)24-19)21(28)30-4/h7-10,17,24H,5-6,11-12H2,1-4H3
InChIKeySIPFVUIRAQOWJD-UHFFFAOYSA-N
XLogP2.97
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.97
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)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 134914414) is methyl 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 methyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 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)OC)=C(C)N2.
What is the InChIKey of methyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is SIPFVUIRAQOWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-5-11-25-19-18(20(27)26(12-6-2)22(25)29)17(14-7-9-15(23)10-8-14)16(13(3)24-19)21(28)30-4/h7-10,17,24H,5-6,11-12H2,1-4H3.
What are the key properties of methyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 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 415.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 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 134914414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).