ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C30H35N5O4 — CID 70822183

About ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 70822183) has the molecular formula C30H35N5O4 and a molecular weight of 529.64 g/mol. Its IUPAC name is ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
• PubChem CID: 70822183
• Molecular Formula: C30H35N5O4
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.27
• IUPAC Name: ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)Nc2c(c(N3CCN(CCc4ccccc4)CC3)nc(=O)n2-c2cccc(O)c2)C1C
• InChI: InChI=1S/C30H35N5O4/c1-4-39-29(37)25-20(2)26-27(34-17-15-33(16-18-34)14-13-22-9-6-5-7-10-22)32-30(38)35(28(26)31-21(25)3)23-11-8-12-24(36)19-23/h5-12,19-20,31,36H,4,13-18H2,1-3H3
• InChIKey: JYLUQNDXJRCROG-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 99.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 70822183) is ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Nc2c(c(N3CCN(CCc4ccccc4)CC3)nc(=O)n2-c2cccc(O)c2)C1C.

What is the InChIKey of ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?

The InChIKey is JYLUQNDXJRCROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4/c1-4-39-29(37)25-20(2)26-27(34-17-15-33(16-18-34)14-13-22-9-6-5-7-10-22)32-30(38)35(28(26)31-21(25)3)23-11-8-12-24(36)19-23/h5-12,19-20,31,36H,4,13-18H2,1-3H3.

What are the key properties of ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?

ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 529.64 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-(3-hydroxyphenyl)-5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 70822183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).