6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione

C23H27N5O4 — CID 18567212

IUPAC6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1OC)c(=O)n(CC(=O)N1CCN(c3ccccc3)CC1)c(=O)n2C
InChIInChI=1S/C23H27N5O4/c1-4-16-14-24-21-19(20(16)32-3)22(30)28(23(31)25(21)2)15-18(29)27-12-10-26(11-13-27)17-8-6-5-7-9-17/h5-9,14H,4,10-13,15H2,1-3H3
InChIKeyUYRYWFBVYVTTHP-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.01
Rot. Bonds5

About 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione

6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 18567212) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID18567212
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1OC)c(=O)n(CC(=O)N1CCN(c3ccccc3)CC1)c(=O)n2C
InChIInChI=1S/C23H27N5O4/c1-4-16-14-24-21-19(20(16)32-3)22(30)28(23(31)25(21)2)15-18(29)27-12-10-26(11-13-27)17-8-6-5-7-9-17/h5-9,14H,4,10-13,15H2,1-3H3
InChIKeyUYRYWFBVYVTTHP-UHFFFAOYSA-N
XLogP1.01
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 18567245
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 18567230
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18567247
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116428
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methyl-N-phenylacetamide
CID 41157813
5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 44827221
2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N,N-diethylacetamide
CID 18567353
7-(4-methoxyphenyl)-1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116129
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116142
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
CID 18089247
3,7-dimethyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]purine-2,6-dione
CID 31482926

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 18567212) is 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1OC)c(=O)n(CC(=O)N1CCN(c3ccccc3)CC1)c(=O)n2C.
What is the InChIKey of 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UYRYWFBVYVTTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-4-16-14-24-21-19(20(16)32-3)22(30)28(23(31)25(21)2)15-18(29)27-12-10-26(11-13-27)17-8-6-5-7-9-17/h5-9,14H,4,10-13,15H2,1-3H3.
What are the key properties of 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18567212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).