2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate

C90H82Br2Cl5N19O18 — CID 157073506

About 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate

2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate (PubChem CID 157073506) has the molecular formula C90H82Br2Cl5N19O18 and a molecular weight of 2054.83 g/mol. Its IUPAC name is 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate.

Molecular Properties

• Compound Name: 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate
• PubChem CID: 157073506
• Molecular Formula: C90H82Br2Cl5N19O18
• Molecular Weight: 2054.83 g/mol
• Exact Mass: 2049.29
• IUPAC Name: 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate
• SMILES: CCOC(=O)Cc1cn2c(Br)ccc(N)c2n1.CCOC(=O)Cc1cn2c(Br)ccc(NC(=O)OC)c2n1.COC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(CC(=O)Nc3ccc(Cl)cc3N)nc12.COC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(CC(=O)O)nc12.COC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(Cc3nc4ccc(Cl)cc4[nH]3)nc12
• InChI: InChI=1S/C24H21Cl2N5O4.C24H19Cl2N5O3.C18H16ClN3O5.C13H14BrN3O4.C11H12BrN3O2/c1-34-15-4-5-16(17(26)11-15)21-8-7-20(30-24(33)35-2)23-28-14(12-31(21)23)10-22(32)29-19-6-3-13(25)9-18(19)27;1-33-15-4-5-16(17(26)11-15)21-8-7-19(30-24(32)34-2)23-27-14(12-31(21)23)10-22-28-18-6-3-13(25)9-20(18)29-22;1-26-11-3-4-12(13(19)8-11)15-6-5-14(21-18(25)27-2)17-20-10(7-16(23)24)9-22(15)17;1-3-21-11(18)6-8-7-17-10(14)5-4-9(12(17)15-8)16-13(19)20-2;1-2-17-10(16)5-7-6-15-9(12)4-3-8(13)11(15)14-7/h3-9,11-12H,10,27H2,1-2H3,(H,29,32)(H,30,33);3-9,11-12H,10H2,1-2H3,(H,28,29)(H,30,32);3-6,8-9H,7H2,1-2H3,(H,21,25)(H,23,24);4-5,7H,3,6H2,1-2H3,(H,16,19);3-4,6H,2,5,13H2,1H3
• InChIKey: ACRWZZDSQNVZQQ-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 467.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.83
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate?

The IUPAC name of 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate (CID 157073506) is 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate.

What is the SMILES notation for 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate?

The canonical SMILES for 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate is CCOC(=O)Cc1cn2c(Br)ccc(N)c2n1.CCOC(=O)Cc1cn2c(Br)ccc(NC(=O)OC)c2n1.COC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(CC(=O)Nc3ccc(Cl)cc3N)nc12.COC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(CC(=O)O)nc12.COC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(Cc3nc4ccc(Cl)cc4[nH]3)nc12.

What is the InChIKey of 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate?

The InChIKey is ACRWZZDSQNVZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O4.C24H19Cl2N5O3.C18H16ClN3O5.C13H14BrN3O4.C11H12BrN3O2/c1-34-15-4-5-16(17(26)11-15)21-8-7-20(30-24(33)35-2)23-28-14(12-31(21)23)10-22(32)29-19-6-3-13(25)9-18(19)27;1-33-15-4-5-16(17(26)11-15)21-8-7-19(30-24(32)34-2)23-27-14(12-31(21)23)10-22-28-18-6-3-13(25)9-20(18)29-22;1-26-11-3-4-12(13(19)8-11)15-6-5-14(21-18(25)27-2)17-20-10(7-16(23)24)9-22(15)17;1-3-21-11(18)6-8-7-17-10(14)5-4-9(12(17)15-8)16-13(19)20-2;1-2-17-10(16)5-7-6-15-9(12)4-3-8(13)11(15)14-7/h3-9,11-12H,10,27H2,1-2H3,(H,29,32)(H,30,33);3-9,11-12H,10H2,1-2H3,(H,28,29)(H,30,32);3-6,8-9H,7H2,1-2H3,(H,21,25)(H,23,24);4-5,7H,3,6H2,1-2H3,(H,16,19);3-4,6H,2,5,13H2,1H3.

What are the key properties of 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate?

2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate has a molecular weight of 2054.83 g/mol, XLogP of 18.85, 23 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-chloro-4-methoxyphenyl)-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(methoxycarbonylamino)imidazo[1,2-a]pyridin-2-yl]acetate;methyl N-[2-[2-(2-amino-4-chloroanilino)-2-oxoethyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate;methyl N-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]carbamate is sourced from PubChem (CID 157073506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).