ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate

C26H24N4O5 — CID 54735700

IUPACethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2cnc(-c3ccccc3)nc2n(-c2ccc(N3CCOCC3)cc2)c1=O
InChIInChI=1S/C26H24N4O5/c1-2-35-26(33)21-22(31)20-16-27-23(17-6-4-3-5-7-17)28-24(20)30(25(21)32)19-10-8-18(9-11-19)29-12-14-34-15-13-29/h3-11,16,31H,2,12-15H2,1H3
InChIKeyKDJVVVXTIIPSCB-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.17
Rot. Bonds5

About ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 54735700) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID54735700
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Nameethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2cnc(-c3ccccc3)nc2n(-c2ccc(N3CCOCC3)cc2)c1=O
InChIInChI=1S/C26H24N4O5/c1-2-35-26(33)21-22(31)20-16-27-23(17-6-4-3-5-7-17)28-24(20)30(25(21)32)19-10-8-18(9-11-19)29-12-14-34-15-13-29/h3-11,16,31H,2,12-15H2,1H3
InChIKeyKDJVVVXTIIPSCB-UHFFFAOYSA-N
XLogP3.17
TPSA106.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 54735700) is ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(O)c2cnc(-c3ccccc3)nc2n(-c2ccc(N3CCOCC3)cc2)c1=O.
What is the InChIKey of ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is KDJVVVXTIIPSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-2-35-26(33)21-22(31)20-16-27-23(17-6-4-3-5-7-17)28-24(20)30(25(21)32)19-10-8-18(9-11-19)29-12-14-34-15-13-29/h3-11,16,31H,2,12-15H2,1H3.
What are the key properties of ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 472.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 54735700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).