1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate

C77H77BBr3Cl5N17O15+ — CID 162058864

IUPAC1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate
SMILESCCOC(=O)CC(=O)CCl.CCOC(=O)Cc1cn2c(Br)ccc(N)c2n1.COc1ccc(-c2ccc(N)c3nc(CC(=O)O)cn23)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1.Nc1ccc(Br)nc1N.Nc1nc(Cl)ccc1CC(=O)Cc1cn2c(-c3ccc(O)cc3Cl)ccc(N)c2n1.[CH2+]COC(=O)Cc1cn2c(Br)ccc(N)c2n1
InChIInChI=1S/C21H17Cl2N5O2.C16H14ClN3O3.C11H12BrN3O2.C11H11BrN3O2.C7H8BClO3.C6H9ClO3.C5H6BrN3/c22-16-9-13(29)2-3-15(16)18-5-4-17(24)21-26-12(10-28(18)21)8-14(30)7-11-1-6-19(23)27-20(11)25;1-23-10-2-3-11(12(17)7-10)14-5-4-13(18)16-19-9(6-15(21)22)8-20(14)16;2*1-2-17-10(16)5-7-6-15-9(12)4-3-8(13)11(15)14-7;1-12-5-2-3-6(8(10)11)7(9)4-5;1-2-10-6(9)3-5(8)4-7;6-4-2-1-3(7)5(8)9-4/h1-6,9-10,29H,7-8,24H2,(H2,25,27);2-5,7-8H,6,18H2,1H3,(H,21,22);3-4,6H,2,5,13H2,1H3;3-4,6H,1-2,5,13H2;2-4,10-11H,1H3;2-4H2,1H3;1-2H,7H2,(H2,8,9)/q;;;+1;;;
InChIKeyYZOAESOQLJXJRH-UHFFFAOYSA-N
MW1908.36 g/mol
LogP11.97
Rot. Bonds21

About 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate

1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate (PubChem CID 162058864) has the molecular formula C77H77BBr3Cl5N17O15+ and a molecular weight of 1908.36 g/mol. Its IUPAC name is 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate.

Molecular Properties

Compound Name1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate
PubChem CID162058864
Molecular FormulaC77H77BBr3Cl5N17O15+
Molecular Weight1908.36 g/mol
Exact Mass1902.19
IUPAC Name1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate
SMILESCCOC(=O)CC(=O)CCl.CCOC(=O)Cc1cn2c(Br)ccc(N)c2n1.COc1ccc(-c2ccc(N)c3nc(CC(=O)O)cn23)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1.Nc1ccc(Br)nc1N.Nc1nc(Cl)ccc1CC(=O)Cc1cn2c(-c3ccc(O)cc3Cl)ccc(N)c2n1.[CH2+]COC(=O)Cc1cn2c(Br)ccc(N)c2n1
InChIInChI=1S/C21H17Cl2N5O2.C16H14ClN3O3.C11H12BrN3O2.C11H11BrN3O2.C7H8BClO3.C6H9ClO3.C5H6BrN3/c22-16-9-13(29)2-3-15(16)18-5-4-17(24)21-26-12(10-28(18)21)8-14(30)7-11-1-6-19(23)27-20(11)25;1-23-10-2-3-11(12(17)7-10)14-5-4-13(18)16-19-9(6-15(21)22)8-20(14)16;2*1-2-17-10(16)5-7-6-15-9(12)4-3-8(13)11(15)14-7;1-12-5-2-3-6(8(10)11)7(9)4-5;1-2-10-6(9)3-5(8)4-7;6-4-2-1-3(7)5(8)9-4/h1-6,9-10,29H,7-8,24H2,(H2,25,27);2-5,7-8H,6,18H2,1H3,(H,21,22);3-4,6H,2,5,13H2,1H3;3-4,6H,1-2,5,13H2;2-4,10-11H,1H3;2-4H2,1H3;1-2H,7H2,(H2,8,9)/q;;;+1;;;
InChIKeyYZOAESOQLJXJRH-UHFFFAOYSA-N
XLogP11.97
TPSA506.61 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms118
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001908.36
LogP ≤ 511.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate?
The IUPAC name of 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate (CID 162058864) is 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate.
What is the SMILES notation for 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate?
The canonical SMILES for 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate is CCOC(=O)CC(=O)CCl.CCOC(=O)Cc1cn2c(Br)ccc(N)c2n1.COc1ccc(-c2ccc(N)c3nc(CC(=O)O)cn23)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1.Nc1ccc(Br)nc1N.Nc1nc(Cl)ccc1CC(=O)Cc1cn2c(-c3ccc(O)cc3Cl)ccc(N)c2n1.[CH2+]COC(=O)Cc1cn2c(Br)ccc(N)c2n1.
What is the InChIKey of 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate?
The InChIKey is YZOAESOQLJXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2.C16H14ClN3O3.C11H12BrN3O2.C11H11BrN3O2.C7H8BClO3.C6H9ClO3.C5H6BrN3/c22-16-9-13(29)2-3-15(16)18-5-4-17(24)21-26-12(10-28(18)21)8-14(30)7-11-1-6-19(23)27-20(11)25;1-23-10-2-3-11(12(17)7-10)14-5-4-13(18)16-19-9(6-15(21)22)8-20(14)16;2*1-2-17-10(16)5-7-6-15-9(12)4-3-8(13)11(15)14-7;1-12-5-2-3-6(8(10)11)7(9)4-5;1-2-10-6(9)3-5(8)4-7;6-4-2-1-3(7)5(8)9-4/h1-6,9-10,29H,7-8,24H2,(H2,25,27);2-5,7-8H,6,18H2,1H3,(H,21,22);3-4,6H,2,5,13H2,1H3;3-4,6H,1-2,5,13H2;2-4,10-11H,1H3;2-4H2,1H3;1-2H,7H2,(H2,8,9)/q;;;+1;;;.
What are the key properties of 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate?
1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate has a molecular weight of 1908.36 g/mol, XLogP of 11.97, 21 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-5-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-amino-6-chloro-3-pyridinyl)propan-2-one;2-[8-amino-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;6-bromopyridine-2,3-diamine;(2-chloro-4-methoxyphenyl)boronic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 4-chloro-3-oxobutanoate is sourced from PubChem (CID 162058864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).