ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C26H22ClN5O3 — CID 19791285

IUPACethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(=O)NC1c1ccccc1Cl
InChIInChI=1S/C26H22ClN5O3/c1-3-35-25(33)22-23(30-26(34)31-24(22)18-6-4-5-7-19(18)27)16-8-10-17(11-9-16)32-15(2)29-20-14-28-13-12-21(20)32/h4-14,24H,3H2,1-2H3,(H2,30,31,34)
InChIKeyKKUGUXZRDRCTOT-UHFFFAOYSA-N
MW487.95 g/mol
LogP4.71
Rot. Bonds5

About ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 19791285) has the molecular formula C26H22ClN5O3 and a molecular weight of 487.95 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID19791285
Molecular FormulaC26H22ClN5O3
Molecular Weight487.95 g/mol
Exact Mass487.14
IUPAC Nameethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(=O)NC1c1ccccc1Cl
InChIInChI=1S/C26H22ClN5O3/c1-3-35-25(33)22-23(30-26(34)31-24(22)18-6-4-5-7-19(18)27)16-8-10-17(11-9-16)32-15(2)29-20-14-28-13-12-21(20)32/h4-14,24H,3H2,1-2H3,(H2,30,31,34)
InChIKeyKKUGUXZRDRCTOT-UHFFFAOYSA-N
XLogP4.71
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.95
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-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

3-O-cyclohexyl 5-O-ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 15005368
[4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydropyridin-3-yl]-phenylcarbamic acid
CID 67840264
4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydropyridine-3-carboxylic acid
CID 54280569
ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate
CID 54244828
ethyl 4-(2-hydroxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842622
5-ethoxycarbonyl-4-[2-(furan-3-yl)ethenyl]-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
CID 70346955
ethyl (4S)-4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1108932
ethyl (4S)-4-(3,4-dichlorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1287108
ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate
CID 54229802
ethyl (4R)-4-(2-chlorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95181460
ethyl (6S)-6-(2-chlorophenyl)-4-methyl-2-oxo-3-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 989615
ethyl 4-(3-chlorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3787976

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 19791285) is ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(=O)NC1c1ccccc1Cl.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is KKUGUXZRDRCTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O3/c1-3-35-25(33)22-23(30-26(34)31-24(22)18-6-4-5-7-19(18)27)16-8-10-17(11-9-16)32-15(2)29-20-14-28-13-12-21(20)32/h4-14,24H,3H2,1-2H3,(H2,30,31,34).
What are the key properties of ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 487.95 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 19791285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).