ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate

C93H86Cl4N16O16S4 — CID 158019735

About ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate

ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate (PubChem CID 158019735) has the molecular formula C93H86Cl4N16O16S4 and a molecular weight of 1953.89 g/mol. Its IUPAC name is ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
• PubChem CID: 158019735
• Molecular Formula: C93H86Cl4N16O16S4
• Molecular Weight: 1953.89 g/mol
• Exact Mass: 1950.40
• IUPAC Name: ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
• SMILES: CCOC(=O)Nc1ccn2c(-c3cc(OC(C)(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.CCOC(=O)Nc1ccn2c(-c3cc(O[C@@H](CC)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.CCOC(=O)Nc1ccn2c(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.COC(=O)Nc1ccn2c(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
• InChI: InChI=1S/2C24H23ClN4O4S.C23H21ClN4O4S.C22H19ClN4O4S/c1-4-32-23(31)28-14-9-10-29-17(13-27-20(29)11-14)19-12-18(21(34-19)22(26)30)33-24(2,3)15-7-5-6-8-16(15)25;1-3-18(15-7-5-6-8-16(15)25)33-19-12-20(34-22(19)23(26)30)17-13-27-21-11-14(9-10-29(17)21)28-24(31)32-4-2;1-3-31-23(30)27-14-8-9-28-17(12-26-20(28)10-14)19-11-18(21(33-19)22(25)29)32-13(2)15-6-4-5-7-16(15)24;1-12(14-5-3-4-6-15(14)23)31-17-10-18(32-20(17)21(24)28)16-11-25-19-9-13(7-8-27(16)19)26-22(29)30-2/h5-13H,4H2,1-3H3,(H2,26,30)(H,28,31);5-13,18H,3-4H2,1-2H3,(H2,26,30)(H,28,31);4-13H,3H2,1-2H3,(H2,25,29)(H,27,30);3-12H,1-2H3,(H2,24,28)(H,26,29)/t;18-;13-;12-/m.011/s1
• InChIKey: FFXLKGCLUNPWDF-OORPFPFNSA-N
• XLogP: 22.27
• TPSA: 431.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1953.89
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?

The IUPAC name of ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate (CID 158019735) is ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate.

What is the SMILES notation for ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?

The canonical SMILES for ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate is CCOC(=O)Nc1ccn2c(-c3cc(OC(C)(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.CCOC(=O)Nc1ccn2c(-c3cc(O[C@@H](CC)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.CCOC(=O)Nc1ccn2c(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.COC(=O)Nc1ccn2c(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.

What is the InChIKey of ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?

The InChIKey is FFXLKGCLUNPWDF-OORPFPFNSA-N. The full InChI is InChI=1S/2C24H23ClN4O4S.C23H21ClN4O4S.C22H19ClN4O4S/c1-4-32-23(31)28-14-9-10-29-17(13-27-20(29)11-14)19-12-18(21(34-19)22(26)30)33-24(2,3)15-7-5-6-8-16(15)25;1-3-18(15-7-5-6-8-16(15)25)33-19-12-20(34-22(19)23(26)30)17-13-27-21-11-14(9-10-29(17)21)28-24(31)32-4-2;1-3-31-23(30)27-14-8-9-28-17(12-26-20(28)10-14)19-11-18(21(33-19)22(25)29)32-13(2)15-6-4-5-7-16(15)24;1-12(14-5-3-4-6-15(14)23)31-17-10-18(32-20(17)21(24)28)16-11-25-19-9-13(7-8-27(16)19)26-22(29)30-2/h5-13H,4H2,1-3H3,(H2,26,30)(H,28,31);5-13,18H,3-4H2,1-2H3,(H2,26,30)(H,28,31);4-13H,3H2,1-2H3,(H2,25,29)(H,27,30);3-12H,1-2H3,(H2,24,28)(H,26,29)/t;18-;13-;12-/m.011/s1.

What are the key properties of ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?

ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate has a molecular weight of 1953.89 g/mol, XLogP of 22.27, 28 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate is sourced from PubChem (CID 158019735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).