1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C26H22N4O5 — CID 17250669

IUPAC1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2nc(Cn3c(=O)c4cccnc4n(-c4ccccc4OC)c3=O)c(C)o2)cc1
InChIInChI=1S/C26H22N4O5/c1-16-20(28-24(35-16)17-10-12-18(33-2)13-11-17)15-29-25(31)19-7-6-14-27-23(19)30(26(29)32)21-8-4-5-9-22(21)34-3/h4-14H,15H2,1-3H3
InChIKeyMAHPTXUYQYEBCO-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.58
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17250669) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17250669
Molecular FormulaC26H22N4O5
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2nc(Cn3c(=O)c4cccnc4n(-c4ccccc4OC)c3=O)c(C)o2)cc1
InChIInChI=1S/C26H22N4O5/c1-16-20(28-24(35-16)17-10-12-18(33-2)13-11-17)15-29-25(31)19-7-6-14-27-23(19)30(26(29)32)21-8-4-5-9-22(21)34-3/h4-14H,15H2,1-3H3
InChIKeyMAHPTXUYQYEBCO-UHFFFAOYSA-N
XLogP3.58
TPSA101.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 17250669) is 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2nc(Cn3c(=O)c4cccnc4n(-c4ccccc4OC)c3=O)c(C)o2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MAHPTXUYQYEBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5/c1-16-20(28-24(35-16)17-10-12-18(33-2)13-11-17)15-29-25(31)19-7-6-14-27-23(19)30(26(29)32)21-8-4-5-9-22(21)34-3/h4-14H,15H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 470.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17250669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).