N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane

C27H35Cl2N5O4S — CID 143919783

About N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane

N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane (PubChem CID 143919783) has the molecular formula C27H35Cl2N5O4S and a molecular weight of 596.58 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane
• PubChem CID: 143919783
• Molecular Formula: C27H35Cl2N5O4S
• Molecular Weight: 596.58 g/mol
• Exact Mass: 595.18
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane
• SMILES: CC.CSCc1cn(CC(=O)N2CC(C)CC(C)C2)c2nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n12
• InChI: InChI=1S/C25H29Cl2N5O4S.C2H6/c1-14-6-15(2)10-30(9-14)20(33)12-31-11-17(13-37-3)32-24(36)22(34)21(29-25(31)32)23(35)28-8-16-4-5-18(26)19(27)7-16;1-2/h4-5,7,11,14-15,34H,6,8-10,12-13H2,1-3H3,(H,28,35);1-2H3
• InChIKey: QZQAJECYQCTMOA-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 108.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.58
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane (CID 143919783) is N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane is CC.CSCc1cn(CC(=O)N2CC(C)CC(C)C2)c2nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n12.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane?

The InChIKey is QZQAJECYQCTMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N5O4S.C2H6/c1-14-6-15(2)10-30(9-14)20(33)12-31-11-17(13-37-3)32-24(36)22(34)21(29-25(31)32)23(35)28-8-16-4-5-18(26)19(27)7-16;1-2/h4-5,7,11,14-15,34H,6,8-10,12-13H2,1-3H3,(H,28,35);1-2H3.

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane?

N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane has a molecular weight of 596.58 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-3-(methylsulfanylmethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide;ethane is sourced from PubChem (CID 143919783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).