sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid

C81H92BCl4N18NaO13 — CID 161075564

About sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid

sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid (PubChem CID 161075564) has the molecular formula C81H92BCl4N18NaO13 and a molecular weight of 1701.35 g/mol. Its IUPAC name is sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid.

Molecular Properties

• Compound Name: sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid
• PubChem CID: 161075564
• Molecular Formula: C81H92BCl4N18NaO13
• Molecular Weight: 1701.35 g/mol
• Exact Mass: 1698.58
• IUPAC Name: sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid
• SMILES: C.C.Cc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2CCOCC2)cc1.Cc1nc2ccc(Cl)nc2n1-c1ccc(CN2CCOCC2)cc1.Nc1ccc(CN2CCOCC2)cc1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(CN2CCOCC2)cc1.OB(O)c1ccncc1.[Na+]
• InChI: InChI=1S/C23H23N5O.C18H19ClN4O.C16H17ClN4O3.C11H16N2O.C5H6BNO2.C5H2Cl2N2O2.CH2O3.2CH4.Na/c1-17-25-22-7-6-21(19-8-10-24-11-9-19)26-23(22)28(17)20-4-2-18(3-5-20)16-27-12-14-29-15-13-27;1-13-20-16-6-7-17(19)21-18(16)23(13)15-4-2-14(3-5-15)12-22-8-10-24-11-9-22;17-15-6-5-14(21(22)23)16(19-15)18-13-3-1-12(2-4-13)11-20-7-9-24-10-8-20;12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13;8-6(9)5-1-3-7-4-2-5;6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;;;/h2-11H,12-16H2,1H3;2-7H,8-12H2,1H3;1-6H,7-11H2,(H,18,19);1-4H,5-9,12H2;1-4,8-9H;1-2H;1,3H;2*1H4;/q;;;;;;;;;+1/p-1
• InChIKey: UFFKOZYBESFWRF-UHFFFAOYSA-M
• XLogP: 8.93
• TPSA: 377.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1701.35
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid?

The IUPAC name of sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid (CID 161075564) is sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid.

What is the SMILES notation for sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid?

The canonical SMILES for sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid is C.C.Cc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2CCOCC2)cc1.Cc1nc2ccc(Cl)nc2n1-c1ccc(CN2CCOCC2)cc1.Nc1ccc(CN2CCOCC2)cc1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(CN2CCOCC2)cc1.OB(O)c1ccncc1.[Na+].

What is the InChIKey of sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid?

The InChIKey is UFFKOZYBESFWRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23N5O.C18H19ClN4O.C16H17ClN4O3.C11H16N2O.C5H6BNO2.C5H2Cl2N2O2.CH2O3.2CH4.Na/c1-17-25-22-7-6-21(19-8-10-24-11-9-19)26-23(22)28(17)20-4-2-18(3-5-20)16-27-12-14-29-15-13-27;1-13-20-16-6-7-17(19)21-18(16)23(13)15-4-2-14(3-5-15)12-22-8-10-24-11-9-22;17-15-6-5-14(21(22)23)16(19-15)18-13-3-1-12(2-4-13)11-20-7-9-24-10-8-20;12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13;8-6(9)5-1-3-7-4-2-5;6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;;;/h2-11H,12-16H2,1H3;2-7H,8-12H2,1H3;1-6H,7-11H2,(H,18,19);1-4H,5-9,12H2;1-4,8-9H;1-2H;1,3H;2*1H4;/q;;;;;;;;;+1/p-1.

What are the key properties of sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid?

sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid has a molecular weight of 1701.35 g/mol, XLogP of 8.93, 17 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;6-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;methane;4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline;oxido formate;pyridin-4-ylboronic acid is sourced from PubChem (CID 161075564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).