ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C33H42N6O3 — CID 91257457

IUPACethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2c(c(N3CCN(CCc4ccccc4)CC3)nc(=O)n2CCN(C)C)C1c1ccccc1
InChIInChI=1S/C33H42N6O3/c1-5-42-32(40)27-24(2)34-31-29(28(27)26-14-10-7-11-15-26)30(35-33(41)39(31)23-18-36(3)4)38-21-19-37(20-22-38)17-16-25-12-8-6-9-13-25/h6-15,27-28H,5,16-23H2,1-4H3
InChIKeyWDKMKHFPJYEEPD-UHFFFAOYSA-N
MW570.74 g/mol
LogP3.59
Rot. Bonds10

About ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91257457) has the molecular formula C33H42N6O3 and a molecular weight of 570.74 g/mol. Its IUPAC name is ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID91257457
Molecular FormulaC33H42N6O3
Molecular Weight570.74 g/mol
Exact Mass570.33
IUPAC Nameethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2c(c(N3CCN(CCc4ccccc4)CC3)nc(=O)n2CCN(C)C)C1c1ccccc1
InChIInChI=1S/C33H42N6O3/c1-5-42-32(40)27-24(2)34-31-29(28(27)26-14-10-7-11-15-26)30(35-33(41)39(31)23-18-36(3)4)38-21-19-37(20-22-38)17-16-25-12-8-6-9-13-25/h6-15,27-28H,5,16-23H2,1-4H3
InChIKeyWDKMKHFPJYEEPD-UHFFFAOYSA-N
XLogP3.59
TPSA83.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.74
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate 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

ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 91483898
ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 54514881
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
ethyl 11-methyl-7-oxo-5,8,13-triphenyl-3,4,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10-tetraene-12-carboxylate
CID 123333770
ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 91457437
ethyl 4-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-7-methyl-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 15192287
ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 123763150
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 52553124
ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate
CID 21496451
ethyl (4S,5R)-2-(4-benzylpiperazin-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 7354462
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 91257457) is ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1C(C)=Nc2c(c(N3CCN(CCc4ccccc4)CC3)nc(=O)n2CCN(C)C)C1c1ccccc1.
What is the InChIKey of ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WDKMKHFPJYEEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O3/c1-5-42-32(40)27-24(2)34-31-29(28(27)26-14-10-7-11-15-26)30(35-33(41)39(31)23-18-36(3)4)38-21-19-37(20-22-38)17-16-25-12-8-6-9-13-25/h6-15,27-28H,5,16-23H2,1-4H3.
What are the key properties of ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 570.74 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91257457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).