N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate

C114H101BBr2Cl9N17O14S3 — CID 159741047

IUPACN-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate
SMILESCOC(=O)CNCc1ncccc1-c1ccc(OC)cc1Cl.COC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccn2c1=S.COc1ccc(-c2cccn3c(=S)n(CC(=O)Nc4ccc(Cl)nc4N)cc23)c(Cl)c1.COc1ccc(-c2cccn3c(=S)n(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1.COc1ccc(-c2cccnc2C)c(Cl)c1.COc1ccc(-c2cccnc2CBr)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1.Cc1ncccc1Br
InChIInChI=1S/C21H17Cl2N5O2S.C21H15Cl2N5OS.C17H15ClN2O3S.C16H17ClN2O3.C13H11BrClNO.C13H12ClNO.C7H8BClO3.C6H6BrN/c1-30-12-4-5-13(15(22)9-12)14-3-2-8-28-17(14)10-27(21(28)31)11-19(29)25-16-6-7-18(23)26-20(16)24;1-29-12-4-5-13(15(22)9-12)14-3-2-8-28-17(14)10-27(21(28)30)11-19-24-16-6-7-18(23)25-20(16)26-19;1-22-11-5-6-12(14(18)8-11)13-4-3-7-20-15(13)9-19(17(20)24)10-16(21)23-2;1-21-11-5-6-12(14(17)8-11)13-4-3-7-19-15(13)9-18-10-16(20)22-2;1-17-9-4-5-10(12(15)7-9)11-3-2-6-16-13(11)8-14;1-9-11(4-3-7-15-9)12-6-5-10(16-2)8-13(12)14;1-12-5-2-3-6(8(10)11)7(9)4-5;1-5-6(7)3-2-4-8-5/h2-10H,11H2,1H3,(H2,24,26)(H,25,29);2-10H,11H2,1H3,(H,24,25,26);3-9H,10H2,1-2H3;3-8,18H,9-10H2,1-2H3;2-7H,8H2,1H3;3-8H,1-2H3;2-4,10-11H,1H3;2-4H,1H3
InChIKeyNCLOJAQUAUQTAN-UHFFFAOYSA-N
MW2519.06 g/mol
LogP27.69
Rot. Bonds26

About N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate

N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate (PubChem CID 159741047) has the molecular formula C114H101BBr2Cl9N17O14S3 and a molecular weight of 2519.06 g/mol. Its IUPAC name is N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate.

Molecular Properties

Compound NameN-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate
PubChem CID159741047
Molecular FormulaC114H101BBr2Cl9N17O14S3
Molecular Weight2519.06 g/mol
Exact Mass2511.25
IUPAC NameN-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate
SMILESCOC(=O)CNCc1ncccc1-c1ccc(OC)cc1Cl.COC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccn2c1=S.COc1ccc(-c2cccn3c(=S)n(CC(=O)Nc4ccc(Cl)nc4N)cc23)c(Cl)c1.COc1ccc(-c2cccn3c(=S)n(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1.COc1ccc(-c2cccnc2C)c(Cl)c1.COc1ccc(-c2cccnc2CBr)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1.Cc1ncccc1Br
InChIInChI=1S/C21H17Cl2N5O2S.C21H15Cl2N5OS.C17H15ClN2O3S.C16H17ClN2O3.C13H11BrClNO.C13H12ClNO.C7H8BClO3.C6H6BrN/c1-30-12-4-5-13(15(22)9-12)14-3-2-8-28-17(14)10-27(21(28)31)11-19(29)25-16-6-7-18(23)26-20(16)24;1-29-12-4-5-13(15(22)9-12)14-3-2-8-28-17(14)10-27(21(28)30)11-19-24-16-6-7-18(23)25-20(16)26-19;1-22-11-5-6-12(14(18)8-11)13-4-3-7-20-15(13)9-19(17(20)24)10-16(21)23-2;1-21-11-5-6-12(14(17)8-11)13-4-3-7-19-15(13)9-18-10-16(20)22-2;1-17-9-4-5-10(12(15)7-9)11-3-2-6-16-13(11)8-14;1-9-11(4-3-7-15-9)12-6-5-10(16-2)8-13(12)14;1-12-5-2-3-6(8(10)11)7(9)4-5;1-5-6(7)3-2-4-8-5/h2-10H,11H2,1H3,(H2,24,26)(H,25,29);2-10H,11H2,1H3,(H,24,25,26);3-9H,10H2,1-2H3;3-8,18H,9-10H2,1-2H3;2-7H,8H2,1H3;3-8H,1-2H3;2-4,10-11H,1H3;2-4H,1H3
InChIKeyNCLOJAQUAUQTAN-UHFFFAOYSA-N
XLogP27.69
TPSA358.86 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms160
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002519.06
LogP ≤ 527.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate?
The IUPAC name of N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate (CID 159741047) is N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate.
What is the SMILES notation for N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate?
The canonical SMILES for N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate is COC(=O)CNCc1ncccc1-c1ccc(OC)cc1Cl.COC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccn2c1=S.COc1ccc(-c2cccn3c(=S)n(CC(=O)Nc4ccc(Cl)nc4N)cc23)c(Cl)c1.COc1ccc(-c2cccn3c(=S)n(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1.COc1ccc(-c2cccnc2C)c(Cl)c1.COc1ccc(-c2cccnc2CBr)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1.Cc1ncccc1Br.
What is the InChIKey of N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate?
The InChIKey is NCLOJAQUAUQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2S.C21H15Cl2N5OS.C17H15ClN2O3S.C16H17ClN2O3.C13H11BrClNO.C13H12ClNO.C7H8BClO3.C6H6BrN/c1-30-12-4-5-13(15(22)9-12)14-3-2-8-28-17(14)10-27(21(28)31)11-19(29)25-16-6-7-18(23)26-20(16)24;1-29-12-4-5-13(15(22)9-12)14-3-2-8-28-17(14)10-27(21(28)30)11-19-24-16-6-7-18(23)25-20(16)26-19;1-22-11-5-6-12(14(18)8-11)13-4-3-7-20-15(13)9-19(17(20)24)10-16(21)23-2;1-21-11-5-6-12(14(17)8-11)13-4-3-7-19-15(13)9-18-10-16(20)22-2;1-17-9-4-5-10(12(15)7-9)11-3-2-6-16-13(11)8-14;1-9-11(4-3-7-15-9)12-6-5-10(16-2)8-13(12)14;1-12-5-2-3-6(8(10)11)7(9)4-5;1-5-6(7)3-2-4-8-5/h2-10H,11H2,1H3,(H2,24,26)(H,25,29);2-10H,11H2,1H3,(H,24,25,26);3-9H,10H2,1-2H3;3-8,18H,9-10H2,1-2H3;2-7H,8H2,1H3;3-8H,1-2H3;2-4,10-11H,1H3;2-4H,1H3.
What are the key properties of N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate?
N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate has a molecular weight of 2519.06 g/mol, XLogP of 27.69, 26 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chloro-3-pyridinyl)-2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetamide;2-(bromomethyl)-3-(2-chloro-4-methoxyphenyl)pyridine;3-bromo-2-methylpyridine;2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyridine-3-thione;(2-chloro-4-methoxyphenyl)boronic acid;3-(2-chloro-4-methoxyphenyl)-2-methylpyridine;methyl 2-[[3-(2-chloro-4-methoxyphenyl)-2-pyridinyl]methylamino]acetate;methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate is sourced from PubChem (CID 159741047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).