sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide

C60H68BBrCl2F6N17NaO3S3 — CID 163475725

About sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide

sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide (PubChem CID 163475725) has the molecular formula C60H68BBrCl2F6N17NaO3S3 and a molecular weight of 1470.12 g/mol. Its IUPAC name is sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide
• PubChem CID: 163475725
• Molecular Formula: C60H68BBrCl2F6N17NaO3S3
• Molecular Weight: 1470.12 g/mol
• Exact Mass: 1467.33
• IUPAC Name: sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide
• SMILES: C.C.Cc1nc2ccc(-c3ccncc3)nc2n1-c1ncc(CN2CCCC(F)(F)C2)s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CBr)s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CN2CCCC(F)(F)C2)s1.FC1(F)CCCNC1.OB(O)c1ccncc1.[Na+].[OH-]
• InChI: InChI=1S/C21H20F2N6S.C16H16ClF2N5S.C11H8BrClN4S.C5H6BNO2.C5H9F2N.2CH4.Na.H2O/c1-14-26-18-4-3-17(15-5-8-24-9-6-15)27-19(18)29(14)20-25-11-16(30-20)12-28-10-2-7-21(22,23)13-28;1-10-21-12-3-4-13(17)22-14(12)24(10)15-20-7-11(25-15)8-23-6-2-5-16(18,19)9-23;1-6-15-8-2-3-9(13)16-10(8)17(6)11-14-5-7(4-12)18-11;8-6(9)5-1-3-7-4-2-5;6-5(7)2-1-3-8-4-5;;;;/h3-6,8-9,11H,2,7,10,12-13H2,1H3;3-4,7H,2,5-6,8-9H2,1H3;2-3,5H,4H2,1H3;1-4,8-9H;8H,1-4H2;2*1H4;;1H2/q;;;;;;;+1;/p-1
• InChIKey: CAFLWBGREFZQHF-UHFFFAOYSA-M
• XLogP: 10.15
• TPSA: 245.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1470.12
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

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'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide?

The IUPAC name of sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide (CID 163475725) is sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide.

What is the SMILES notation for sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide?

The canonical SMILES for sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide is C.C.Cc1nc2ccc(-c3ccncc3)nc2n1-c1ncc(CN2CCCC(F)(F)C2)s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CBr)s1.Cc1nc2ccc(Cl)nc2n1-c1ncc(CN2CCCC(F)(F)C2)s1.FC1(F)CCCNC1.OB(O)c1ccncc1.[Na+].[OH-].

What is the InChIKey of sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide?

The InChIKey is CAFLWBGREFZQHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20F2N6S.C16H16ClF2N5S.C11H8BrClN4S.C5H6BNO2.C5H9F2N.2CH4.Na.H2O/c1-14-26-18-4-3-17(15-5-8-24-9-6-15)27-19(18)29(14)20-25-11-16(30-20)12-28-10-2-7-21(22,23)13-28;1-10-21-12-3-4-13(17)22-14(12)24(10)15-20-7-11(25-15)8-23-6-2-5-16(18,19)9-23;1-6-15-8-2-3-9(13)16-10(8)17(6)11-14-5-7(4-12)18-11;8-6(9)5-1-3-7-4-2-5;6-5(7)2-1-3-8-4-5;;;;/h3-6,8-9,11H,2,7,10,12-13H2,1H3;3-4,7H,2,5-6,8-9H2,1H3;2-3,5H,4H2,1H3;1-4,8-9H;8H,1-4H2;2*1H4;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide?

sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide has a molecular weight of 1470.12 g/mol, XLogP of 10.15, 10 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-(bromomethyl)-2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;2-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole;3,3-difluoropiperidine;5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-1,3-thiazole;methane;pyridin-4-ylboronic acid;hydroxide is sourced from PubChem (CID 163475725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).