1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate

C89H74BBrCl7N15O10 — CID 157100550

IUPAC1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate
SMILESBrc1cccc2[nH]ncc12.CCOC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccc2n1.COc1ccc(-c2cccc3[nH]ncc23)c(Cl)c1.COc1ccc(-c2cccc3nn(CC(=O)Cc4ccc(Cl)nc4N)cc23)c(Cl)c1.COc1ccc(-c2cccc3nn(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1
InChIInChI=1S/C22H18Cl2N4O2.C21H15Cl2N5O.C18H17ClN2O3.C14H11ClN2O.C7H8BClO3.C7H5BrN2/c1-30-15-6-7-17(19(23)10-15)16-3-2-4-20-18(16)12-28(27-20)11-14(29)9-13-5-8-21(24)26-22(13)25;1-29-12-5-6-14(16(22)9-12)13-3-2-4-17-15(13)10-28(27-17)11-20-24-18-7-8-19(23)25-21(18)26-20;1-3-24-18(22)11-21-10-15-13(5-4-6-17(15)20-21)14-8-7-12(23-2)9-16(14)19;1-18-9-5-6-11(13(15)7-9)10-3-2-4-14-12(10)8-16-17-14;1-12-5-2-3-6(8(10)11)7(9)4-5;8-6-2-1-3-7-5(6)4-9-10-7/h2-8,10,12H,9,11H2,1H3,(H2,25,26);2-10H,11H2,1H3,(H,24,25,26);4-10H,3,11H2,1-2H3;2-8H,1H3,(H,16,17);2-4,10-11H,1H3;1-4H,(H,9,10)
InChIKeyAFSFYDNSQOFEGV-UHFFFAOYSA-N
MW1852.55 g/mol
LogP20.32
Rot. Bonds19

About 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate

1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate (PubChem CID 157100550) has the molecular formula C89H74BBrCl7N15O10 and a molecular weight of 1852.55 g/mol. Its IUPAC name is 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate.

Molecular Properties

Compound Name1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate
PubChem CID157100550
Molecular FormulaC89H74BBrCl7N15O10
Molecular Weight1852.55 g/mol
Exact Mass1847.28
IUPAC Name1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate
SMILESBrc1cccc2[nH]ncc12.CCOC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccc2n1.COc1ccc(-c2cccc3[nH]ncc23)c(Cl)c1.COc1ccc(-c2cccc3nn(CC(=O)Cc4ccc(Cl)nc4N)cc23)c(Cl)c1.COc1ccc(-c2cccc3nn(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1
InChIInChI=1S/C22H18Cl2N4O2.C21H15Cl2N5O.C18H17ClN2O3.C14H11ClN2O.C7H8BClO3.C7H5BrN2/c1-30-15-6-7-17(19(23)10-15)16-3-2-4-20-18(16)12-28(27-20)11-14(29)9-13-5-8-21(24)26-22(13)25;1-29-12-5-6-14(16(22)9-12)13-3-2-4-17-15(13)10-28(27-17)11-20-24-18-7-8-19(23)25-21(18)26-20;1-3-24-18(22)11-21-10-15-13(5-4-6-17(15)20-21)14-8-7-12(23-2)9-16(14)19;1-18-9-5-6-11(13(15)7-9)10-3-2-4-14-12(10)8-16-17-14;1-12-5-2-3-6(8(10)11)7(9)4-5;8-6-2-1-3-7-5(6)4-9-10-7/h2-8,10,12H,9,11H2,1H3,(H2,25,26);2-10H,11H2,1H3,(H,24,25,26);4-10H,3,11H2,1-2H3;2-8H,1H3,(H,16,17);2-4,10-11H,1H3;1-4H,(H,9,10)
InChIKeyAFSFYDNSQOFEGV-UHFFFAOYSA-N
XLogP20.32
TPSA321.28 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001852.55
LogP ≤ 520.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate with MolForge

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Related Compounds

N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
CID 160545126

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate?
The IUPAC name of 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate (CID 157100550) is 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate.
What is the SMILES notation for 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate?
The canonical SMILES for 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate is Brc1cccc2[nH]ncc12.CCOC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccc2n1.COc1ccc(-c2cccc3[nH]ncc23)c(Cl)c1.COc1ccc(-c2cccc3nn(CC(=O)Cc4ccc(Cl)nc4N)cc23)c(Cl)c1.COc1ccc(-c2cccc3nn(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1.COc1ccc(B(O)O)c(Cl)c1.
What is the InChIKey of 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate?
The InChIKey is AFSFYDNSQOFEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2.C21H15Cl2N5O.C18H17ClN2O3.C14H11ClN2O.C7H8BClO3.C7H5BrN2/c1-30-15-6-7-17(19(23)10-15)16-3-2-4-20-18(16)12-28(27-20)11-14(29)9-13-5-8-21(24)26-22(13)25;1-29-12-5-6-14(16(22)9-12)13-3-2-4-17-15(13)10-28(27-17)11-20-24-18-7-8-19(23)25-21(18)26-20;1-3-24-18(22)11-21-10-15-13(5-4-6-17(15)20-21)14-8-7-12(23-2)9-16(14)19;1-18-9-5-6-11(13(15)7-9)10-3-2-4-14-12(10)8-16-17-14;1-12-5-2-3-6(8(10)11)7(9)4-5;8-6-2-1-3-7-5(6)4-9-10-7/h2-8,10,12H,9,11H2,1H3,(H2,25,26);2-10H,11H2,1H3,(H,24,25,26);4-10H,3,11H2,1-2H3;2-8H,1H3,(H,16,17);2-4,10-11H,1H3;1-4H,(H,9,10).
What are the key properties of 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate?
1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate has a molecular weight of 1852.55 g/mol, XLogP of 20.32, 19 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate is sourced from PubChem (CID 157100550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).