disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide

C131H122BBrCl2F6N17Na2O6P4PdS3- — CID 158131714

IUPACdisodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide
SMILESCc1nc2ccc(-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.O=[C-]OO.OB(O)c1ccncc1.[H-].[Na+].[Na+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20F2N6S.4C18H15P.C16H16ClF2N5S.C11H8BrClN4S.C5H6BNO2.C5H9F2N.CHO3.2Na.H2O.Pd.H/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;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;2-1-4-3;;;;;/h3-6,8-9,11H,2,7,10,12-13H2,1H3;4*1-15H;3-4,7H,2,5-6,8-9H2,1H3;2-3,5H,4H2,1H3;1-4,8-9H;8H,1-4H2;3H;;;1H2;;/q;;;;;;;;;-1;2*+1;;;-1/p-1
InChIKeyWEDWYIBKYJRYIF-UHFFFAOYSA-M
MW2678.64 g/mol
LogP19.31
Rot. Bonds23

About disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide

disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide (PubChem CID 158131714) has the molecular formula C131H122BBrCl2F6N17Na2O6P4PdS3- and a molecular weight of 2678.64 g/mol. Its IUPAC name is disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide.

Molecular Properties

Compound Namedisodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide
PubChem CID158131714
Molecular FormulaC131H122BBrCl2F6N17Na2O6P4PdS3-
Molecular Weight2678.64 g/mol
Exact Mass2674.53
IUPAC Namedisodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide
SMILESCc1nc2ccc(-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.O=[C-]OO.OB(O)c1ccncc1.[H-].[Na+].[Na+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20F2N6S.4C18H15P.C16H16ClF2N5S.C11H8BrClN4S.C5H6BNO2.C5H9F2N.CHO3.2Na.H2O.Pd.H/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;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;2-1-4-3;;;;;/h3-6,8-9,11H,2,7,10,12-13H2,1H3;4*1-15H;3-4,7H,2,5-6,8-9H2,1H3;2-3,5H,4H2,1H3;1-4,8-9H;8H,1-4H2;3H;;;1H2;;/q;;;;;;;;;-1;2*+1;;;-1/p-1
InChIKeyWEDWYIBKYJRYIF-UHFFFAOYSA-M
XLogP19.31
TPSA292.08 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002678.64
LogP ≤ 519.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide?
The IUPAC name of disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide (CID 158131714) is disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide.
What is the SMILES notation for disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide?
The canonical SMILES for disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide is 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.O=[C-]OO.OB(O)c1ccncc1.[H-].[Na+].[Na+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide?
The InChIKey is WEDWYIBKYJRYIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20F2N6S.4C18H15P.C16H16ClF2N5S.C11H8BrClN4S.C5H6BNO2.C5H9F2N.CHO3.2Na.H2O.Pd.H/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;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;2-1-4-3;;;;;/h3-6,8-9,11H,2,7,10,12-13H2,1H3;4*1-15H;3-4,7H,2,5-6,8-9H2,1H3;2-3,5H,4H2,1H3;1-4,8-9H;8H,1-4H2;3H;;;1H2;;/q;;;;;;;;;-1;2*+1;;;-1/p-1.
What are the key properties of disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide?
disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide has a molecular weight of 2678.64 g/mol, XLogP of 19.31, 23 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;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;hydride;hydroperoxymethanone;palladium;pyridin-4-ylboronic acid;tetrakis(triphenylphosphane);hydroxide is sourced from PubChem (CID 158131714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).