ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

C35H30ClN5O3 — CID 15005344

About ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate (PubChem CID 15005344) has the molecular formula C35H30ClN5O3 and a molecular weight of 604.11 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
• PubChem CID: 15005344
• Molecular Formula: C35H30ClN5O3
• Molecular Weight: 604.11 g/mol
• Exact Mass: 603.20
• IUPAC Name: ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccc(-c3c(C)nc4ccccn34)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl
• InChI: InChI=1S/C35H30ClN5O3/c1-4-44-35(43)31-30(25-11-5-6-12-26(25)36)29(34(42)40-27-13-7-9-19-37-27)21(2)39-32(31)23-15-17-24(18-16-23)33-22(3)38-28-14-8-10-20-41(28)33/h5-20,30,39H,4H2,1-3H3,(H,37,40,42)
• InChIKey: SAFXQJBGSURGQD-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.11
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?

The IUPAC name of ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate (CID 15005344) is ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate.

What is the SMILES notation for ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?

The canonical SMILES for ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(c2ccc(-c3c(C)nc4ccccn34)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl.

What is the InChIKey of ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?

The InChIKey is SAFXQJBGSURGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClN5O3/c1-4-44-35(43)31-30(25-11-5-6-12-26(25)36)29(34(42)40-27-13-7-9-19-37-27)21(2)39-32(31)23-15-17-24(18-16-23)33-22(3)38-28-14-8-10-20-41(28)33/h5-20,30,39H,4H2,1-3H3,(H,37,40,42).

What are the key properties of ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?

ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate has a molecular weight of 604.11 g/mol, XLogP of 6.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 15005344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).