3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)

C144H133B3Br4F9N21O17P4PdS3 — CID 157388382

IUPAC3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)
SMILESBrB(Br)Br.COc1ncccc1-c1ccn(C)n1.COc1ncccc1B1OC(C)(C)C(C)(C)O1.Cn1ccc(-c2ccc[nH]c2=O)n1.Cn1ccc(-c2cccnc2-c2ccc3ncc(C(N)=O)n3c2)n1.Cn1ccc(-c2cccnc2OS(=O)(=O)C(F)(F)F)n1.Cn1ccc(Br)n1.NC(=O)c1cnc2ccc(B(O)O)cn12.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C17H14N6O.C12H18BNO3.C10H8F3N3O3S.C10H11N3O.C9H9N3O.C8H8BN3O3.C4H5BrN2.C2F6O5S2.BBr3.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-22-8-6-13(21-22)12-3-2-7-19-16(12)11-4-5-15-20-9-14(17(18)24)23(15)10-11;1-11(2)12(3,4)17-13(16-11)9-7-6-8-14-10(9)15-5;1-16-6-4-8(15-16)7-3-2-5-14-9(7)19-20(17,18)10(11,12)13;1-13-7-5-9(12-13)8-4-3-6-11-10(8)14-2;1-12-6-4-8(11-12)7-3-2-5-10-9(7)13;10-8(13)6-3-11-7-2-1-5(9(14)15)4-12(6)7;1-7-3-2-4(5)6-7;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;2-1(3)4;/h4*1-15H;2-10H,1H3,(H2,18,24);6-8H,1-5H3;2-6H,1H3;3-7H,1-2H3;2-6H,1H3,(H,10,13);1-4,14-15H,(H2,10,13);2-3H,1H3;;;
InChIKeyBLRZUVQAHZJVLU-UHFFFAOYSA-N
MW3279.33 g/mol
LogP23.19
Rot. Bonds27

About 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)

3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane) (PubChem CID 157388382) has the molecular formula C144H133B3Br4F9N21O17P4PdS3 and a molecular weight of 3279.33 g/mol. Its IUPAC name is 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)
PubChem CID157388382
Molecular FormulaC144H133B3Br4F9N21O17P4PdS3
Molecular Weight3279.33 g/mol
Exact Mass3273.42
IUPAC Name3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)
SMILESBrB(Br)Br.COc1ncccc1-c1ccn(C)n1.COc1ncccc1B1OC(C)(C)C(C)(C)O1.Cn1ccc(-c2ccc[nH]c2=O)n1.Cn1ccc(-c2cccnc2-c2ccc3ncc(C(N)=O)n3c2)n1.Cn1ccc(-c2cccnc2OS(=O)(=O)C(F)(F)F)n1.Cn1ccc(Br)n1.NC(=O)c1cnc2ccc(B(O)O)cn12.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C17H14N6O.C12H18BNO3.C10H8F3N3O3S.C10H11N3O.C9H9N3O.C8H8BN3O3.C4H5BrN2.C2F6O5S2.BBr3.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-22-8-6-13(21-22)12-3-2-7-19-16(12)11-4-5-15-20-9-14(17(18)24)23(15)10-11;1-11(2)12(3,4)17-13(16-11)9-7-6-8-14-10(9)15-5;1-16-6-4-8(15-16)7-3-2-5-14-9(7)19-20(17,18)10(11,12)13;1-13-7-5-9(12-13)8-4-3-6-11-10(8)14-2;1-12-6-4-8(11-12)7-3-2-5-10-9(7)13;10-8(13)6-3-11-7-2-1-5(9(14)15)4-12(6)7;1-7-3-2-4(5)6-7;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;2-1(3)4;/h4*1-15H;2-10H,1H3,(H2,18,24);6-8H,1-5H3;2-6H,1H3;3-7H,1-2H3;2-6H,1H3,(H,10,13);1-4,14-15H,(H2,10,13);2-3H,1H3;;;
InChIKeyBLRZUVQAHZJVLU-UHFFFAOYSA-N
XLogP23.19
TPSA492.56 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003279.33
LogP ≤ 523.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

3-bromo-2-methoxypyridine;2-bromo-6-methylpyridine;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(6-methyl-2-pyridinyl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)
CID 157069928
2-bromo-4-methyl-1,3-thiazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-(2-methoxy-3-pyridinyl)-4-methyl-1,3-thiazole;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridin-2-one;6-[3-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)
CID 160419528

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)?
The IUPAC name of 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane) (CID 157388382) is 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane).
What is the SMILES notation for 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)?
The canonical SMILES for 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane) is BrB(Br)Br.COc1ncccc1-c1ccn(C)n1.COc1ncccc1B1OC(C)(C)C(C)(C)O1.Cn1ccc(-c2ccc[nH]c2=O)n1.Cn1ccc(-c2cccnc2-c2ccc3ncc(C(N)=O)n3c2)n1.Cn1ccc(-c2cccnc2OS(=O)(=O)C(F)(F)F)n1.Cn1ccc(Br)n1.NC(=O)c1cnc2ccc(B(O)O)cn12.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[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 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)?
The InChIKey is BLRZUVQAHZJVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C17H14N6O.C12H18BNO3.C10H8F3N3O3S.C10H11N3O.C9H9N3O.C8H8BN3O3.C4H5BrN2.C2F6O5S2.BBr3.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-22-8-6-13(21-22)12-3-2-7-19-16(12)11-4-5-15-20-9-14(17(18)24)23(15)10-11;1-11(2)12(3,4)17-13(16-11)9-7-6-8-14-10(9)15-5;1-16-6-4-8(15-16)7-3-2-5-14-9(7)19-20(17,18)10(11,12)13;1-13-7-5-9(12-13)8-4-3-6-11-10(8)14-2;1-12-6-4-8(11-12)7-3-2-5-10-9(7)13;10-8(13)6-3-11-7-2-1-5(9(14)15)4-12(6)7;1-7-3-2-4(5)6-7;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;2-1(3)4;/h4*1-15H;2-10H,1H3,(H2,18,24);6-8H,1-5H3;2-6H,1H3;3-7H,1-2H3;2-6H,1H3,(H,10,13);1-4,14-15H,(H2,10,13);2-3H,1H3;;;.
What are the key properties of 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)?
3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane) has a molecular weight of 3279.33 g/mol, XLogP of 23.19, 27 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylpyrazole;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(1-methylpyrazol-3-yl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(1-methylpyrazol-3-yl)-1H-pyridin-2-one;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157388382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).