5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide

C69H69BBr2ClF2N13O6 — CID 157322362

IUPAC5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(C#N)cnc1NCc1ccc(-c2ccc(NCCO)nc2)cc1)c1ccc(F)cc1.C[C@H](NC(=O)c1cc(C#N)cnc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(F)cc1.Clc1ccc(Br)cn1.OCCNc1ccc(Br)cn1
InChIInChI=1S/C29H27FN6O2.C28H30BFN4O3.C7H9BrN2O.C5H3BrClN/c1-19(22-6-9-25(30)10-7-22)36-29(38)26-14-21(15-31)17-35-28(26)34-16-20-2-4-23(5-3-20)24-8-11-27(33-18-24)32-12-13-37;1-18(21-8-12-23(30)13-9-21)34-26(35)24-14-20(15-31)17-33-25(24)32-16-19-6-10-22(11-7-19)29-36-27(2,3)28(4,5)37-29;8-6-1-2-7(10-5-6)9-3-4-11;6-4-1-2-5(7)8-3-4/h2-11,14,17-19,37H,12-13,16H2,1H3,(H,32,33)(H,34,35)(H,36,38);6-14,17-18H,16H2,1-5H3,(H,32,33)(H,34,35);1-2,5,11H,3-4H2,(H,9,10);1-3H/t19-;18-;;/m00../s1
InChIKeyBEHXDTNYANRWGO-WNOSHSPGSA-N
MW1420.46 g/mol
LogP12.90
Rot. Bonds20

About 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide

5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 157322362) has the molecular formula C69H69BBr2ClF2N13O6 and a molecular weight of 1420.46 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID157322362
Molecular FormulaC69H69BBr2ClF2N13O6
Molecular Weight1420.46 g/mol
Exact Mass1417.36
IUPAC Name5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(C#N)cnc1NCc1ccc(-c2ccc(NCCO)nc2)cc1)c1ccc(F)cc1.C[C@H](NC(=O)c1cc(C#N)cnc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(F)cc1.Clc1ccc(Br)cn1.OCCNc1ccc(Br)cn1
InChIInChI=1S/C29H27FN6O2.C28H30BFN4O3.C7H9BrN2O.C5H3BrClN/c1-19(22-6-9-25(30)10-7-22)36-29(38)26-14-21(15-31)17-35-28(26)34-16-20-2-4-23(5-3-20)24-8-11-27(33-18-24)32-12-13-37;1-18(21-8-12-23(30)13-9-21)34-26(35)24-14-20(15-31)17-33-25(24)32-16-19-6-10-22(11-7-19)29-36-27(2,3)28(4,5)37-29;8-6-1-2-7(10-5-6)9-3-4-11;6-4-1-2-5(7)8-3-4/h2-11,14,17-19,37H,12-13,16H2,1H3,(H,32,33)(H,34,35)(H,36,38);6-14,17-18H,16H2,1-5H3,(H,32,33)(H,34,35);1-2,5,11H,3-4H2,(H,9,10);1-3H/t19-;18-;;/m00../s1
InChIKeyBEHXDTNYANRWGO-WNOSHSPGSA-N
XLogP12.90
TPSA277.27 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001420.46
LogP ≤ 512.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 159127074
2-amino-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-[4-(aminomethyl)phenyl]-3-methylpyridin-2-amine;2-[[4-(6-amino-5-methyl-3-pyridinyl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-3-methylpyridin-2-amine;N-[(3,4-difluorophenyl)methyl]-2-fluoro-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride
CID 160291904
5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid
CID 157380416
5-bromopyridine-3-carbaldehyde;(E)-3-(5-bromo-3-pyridinyl)-1-(4-fluorophenyl)prop-2-en-1-one;1-(4-fluorophenyl)ethanone;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 158618211
2-aminoethanol;5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 161898432

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide (CID 157322362) is 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide is C[C@H](NC(=O)c1cc(C#N)cnc1NCc1ccc(-c2ccc(NCCO)nc2)cc1)c1ccc(F)cc1.C[C@H](NC(=O)c1cc(C#N)cnc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(F)cc1.Clc1ccc(Br)cn1.OCCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is BEHXDTNYANRWGO-WNOSHSPGSA-N. The full InChI is InChI=1S/C29H27FN6O2.C28H30BFN4O3.C7H9BrN2O.C5H3BrClN/c1-19(22-6-9-25(30)10-7-22)36-29(38)26-14-21(15-31)17-35-28(26)34-16-20-2-4-23(5-3-20)24-8-11-27(33-18-24)32-12-13-37;1-18(21-8-12-23(30)13-9-21)34-26(35)24-14-20(15-31)17-33-25(24)32-16-19-6-10-22(11-7-19)29-36-27(2,3)28(4,5)37-29;8-6-1-2-7(10-5-6)9-3-4-11;6-4-1-2-5(7)8-3-4/h2-11,14,17-19,37H,12-13,16H2,1H3,(H,32,33)(H,34,35)(H,36,38);6-14,17-18H,16H2,1-5H3,(H,32,33)(H,34,35);1-2,5,11H,3-4H2,(H,9,10);1-3H/t19-;18-;;/m00../s1.
What are the key properties of 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide?
5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 1420.46 g/mol, XLogP of 12.90, 20 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 157322362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).