6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione

C33H30F2N4O5 — CID 168873565

IUPAC6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1c2c(O)c(Cc3ccccc3)c(=O)n(CCCN3CCOCC3)c2n(-c2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C33H30F2N4O5/c34-23-7-11-25(12-8-23)38-30-28(32(42)39(33(38)43)26-13-9-24(35)10-14-26)29(40)27(21-22-5-2-1-3-6-22)31(41)37(30)16-4-15-36-17-19-44-20-18-36/h1-3,5-14,40H,4,15-21H2
InChIKeyCFETXRWWHHZTPM-UHFFFAOYSA-N
MW600.62 g/mol
LogP3.60
Rot. Bonds8

About 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione

6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 168873565) has the molecular formula C33H30F2N4O5 and a molecular weight of 600.62 g/mol. Its IUPAC name is 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID168873565
Molecular FormulaC33H30F2N4O5
Molecular Weight600.62 g/mol
Exact Mass600.22
IUPAC Name6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1c2c(O)c(Cc3ccccc3)c(=O)n(CCCN3CCOCC3)c2n(-c2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C33H30F2N4O5/c34-23-7-11-25(12-8-23)38-30-28(32(42)39(33(38)43)26-13-9-24(35)10-14-26)29(40)27(21-22-5-2-1-3-6-22)31(41)37(30)16-4-15-36-17-19-44-20-18-36/h1-3,5-14,40H,4,15-21H2
InChIKeyCFETXRWWHHZTPM-UHFFFAOYSA-N
XLogP3.60
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 168873565) is 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione is O=c1c2c(O)c(Cc3ccccc3)c(=O)n(CCCN3CCOCC3)c2n(-c2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is CFETXRWWHHZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F2N4O5/c34-23-7-11-25(12-8-23)38-30-28(32(42)39(33(38)43)26-13-9-24(35)10-14-26)29(40)27(21-22-5-2-1-3-6-22)31(41)37(30)16-4-15-36-17-19-44-20-18-36/h1-3,5-14,40H,4,15-21H2.
What are the key properties of 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 600.62 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 168873565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).