5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

C58H57BBrCl4FN12O6S — CID 160837476

IUPAC5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
SMILESCC1(C)OB(c2cnc(Cl)c(N)c2)OC1(C)C.Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1F
InChIInChI=1S/C24H20ClFN4O3S.C18H17ClN4O.C11H16BClN2O2.C5H4BrClN2/c25-24-21(29-34(31,32)23-4-2-1-3-19(23)26)14-17(15-28-24)16-5-6-20-18(13-16)22(7-8-27-20)30-9-11-33-12-10-30;19-18-15(20)10-13(11-22-18)12-1-2-16-14(9-12)17(3-4-21-16)23-5-7-24-8-6-23;1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7;6-3-1-4(8)5(7)9-2-3/h1-8,13-15,29H,9-12H2;1-4,9-11H,5-8,20H2;5-6H,14H2,1-4H3;1-2H,8H2
InChIKeySHPASRMBFMSGCL-UHFFFAOYSA-N
MW1301.76 g/mol
LogP11.79
Rot. Bonds8

About 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine (PubChem CID 160837476) has the molecular formula C58H57BBrCl4FN12O6S and a molecular weight of 1301.76 g/mol. Its IUPAC name is 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
PubChem CID160837476
Molecular FormulaC58H57BBrCl4FN12O6S
Molecular Weight1301.76 g/mol
Exact Mass1298.23
IUPAC Name5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
SMILESCC1(C)OB(c2cnc(Cl)c(N)c2)OC1(C)C.Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1F
InChIInChI=1S/C24H20ClFN4O3S.C18H17ClN4O.C11H16BClN2O2.C5H4BrClN2/c25-24-21(29-34(31,32)23-4-2-1-3-19(23)26)14-17(15-28-24)16-5-6-20-18(13-16)22(7-8-27-20)30-9-11-33-12-10-30;19-18-15(20)10-13(11-22-18)12-1-2-16-14(9-12)17(3-4-21-16)23-5-7-24-8-6-23;1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7;6-3-1-4(8)5(7)9-2-3/h1-8,13-15,29H,9-12H2;1-4,9-11H,5-8,20H2;5-6H,14H2,1-4H3;1-2H,8H2
InChIKeySHPASRMBFMSGCL-UHFFFAOYSA-N
XLogP11.79
TPSA244.97 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.76
LogP ≤ 511.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-{2-Chloro-5-[4-(Morpholin-4-Yl)quinolin-6-Yl]pyridin-3-Yl}-4-Fluorobenzenesulfonamide
CID 44608915
N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609545
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 44609703
N-[2-chloro-5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 58229449
N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide
CID 143915399
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 58229517
N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide
CID 91142312
5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine
CID 157072568
N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 157495336
5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 158704780
5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride
CID 158824521
4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 159393084

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine (CID 160837476) is 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine is CC1(C)OB(c2cnc(Cl)c(N)c2)OC1(C)C.Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1F.
What is the InChIKey of 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The InChIKey is SHPASRMBFMSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3S.C18H17ClN4O.C11H16BClN2O2.C5H4BrClN2/c25-24-21(29-34(31,32)23-4-2-1-3-19(23)26)14-17(15-28-24)16-5-6-20-18(13-16)22(7-8-27-20)30-9-11-33-12-10-30;19-18-15(20)10-13(11-22-18)12-1-2-16-14(9-12)17(3-4-21-16)23-5-7-24-8-6-23;1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7;6-3-1-4(8)5(7)9-2-3/h1-8,13-15,29H,9-12H2;1-4,9-11H,5-8,20H2;5-6H,14H2,1-4H3;1-2H,8H2.
What are the key properties of 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine has a molecular weight of 1301.76 g/mol, XLogP of 11.79, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine is sourced from PubChem (CID 160837476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).