dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)

C137H125BBr2Cl6K2N14O12P4Pd — CID 157066107

IUPACdipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)
SMILESBrC1CC1.C.Cc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1.Cc1ccncc1OC=O.Cl[Pd]Cl.Nc1cnc(-c2cc(O)ccc2Cl)cn1.Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1.Nc1cnc(Br)cn1.O=CO[O-].OB(O)c1cc(O)ccc1Cl.[H-].[K+].[K+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17ClN4O2.4C18H15P.C13H12ClN3O.C10H8ClN3O.C7H7NO2.C6H6BClO3.C4H4BrN3.C3H5Br.CH2O3.CH4.2ClH.2K.Pd.H/c1-12-6-7-22-9-16(12)20(26)25-19-11-23-18(10-24-19)15-8-14(4-5-17(15)21)27-13-2-3-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-11-4-3-9(18-8-1-2-8)5-10(11)12-6-17-13(15)7-16-12;11-8-2-1-6(15)3-7(8)9-4-14-10(12)5-13-9;1-6-2-3-8-4-7(6)10-5-9;8-6-2-1-4(9)3-5(6)7(10)11;5-3-1-8-4(6)2-7-3;4-3-1-2-3;2-1-4-3;;;;;;;/h4-11,13H,2-3H2,1H3,(H,24,25,26);4*1-15H;3-8H,1-2H2,(H2,15,17);1-5,15H,(H2,12,14);2-5H,1H3;1-3,9-11H;1-2H,(H2,6,8);3H,1-2H2;1,3H;1H4;2*1H;;;;/q;;;;;;;;;;;;;;;2*+1;+2;-1/p-3
InChIKeyMEPKEPOVYQILOS-UHFFFAOYSA-K
MW2851.44 g/mol
LogP20.66
Rot. Bonds25

About dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)

dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane) (PubChem CID 157066107) has the molecular formula C137H125BBr2Cl6K2N14O12P4Pd and a molecular weight of 2851.44 g/mol. Its IUPAC name is dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)
PubChem CID157066107
Molecular FormulaC137H125BBr2Cl6K2N14O12P4Pd
Molecular Weight2851.44 g/mol
Exact Mass2844.35
IUPAC Namedipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)
SMILESBrC1CC1.C.Cc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1.Cc1ccncc1OC=O.Cl[Pd]Cl.Nc1cnc(-c2cc(O)ccc2Cl)cn1.Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1.Nc1cnc(Br)cn1.O=CO[O-].OB(O)c1cc(O)ccc1Cl.[H-].[K+].[K+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17ClN4O2.4C18H15P.C13H12ClN3O.C10H8ClN3O.C7H7NO2.C6H6BClO3.C4H4BrN3.C3H5Br.CH2O3.CH4.2ClH.2K.Pd.H/c1-12-6-7-22-9-16(12)20(26)25-19-11-23-18(10-24-19)15-8-14(4-5-17(15)21)27-13-2-3-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-11-4-3-9(18-8-1-2-8)5-10(11)12-6-17-13(15)7-16-12;11-8-2-1-6(15)3-7(8)9-4-14-10(12)5-13-9;1-6-2-3-8-4-7(6)10-5-9;8-6-2-1-4(9)3-5(6)7(10)11;5-3-1-8-4(6)2-7-3;4-3-1-2-3;2-1-4-3;;;;;;;/h4-11,13H,2-3H2,1H3,(H,24,25,26);4*1-15H;3-8H,1-2H2,(H2,15,17);1-5,15H,(H2,12,14);2-5H,1H3;1-3,9-11H;1-2H,(H2,6,8);3H,1-2H2;1,3H;1H4;2*1H;;;;/q;;;;;;;;;;;;;;;2*+1;+2;-1/p-3
InChIKeyMEPKEPOVYQILOS-UHFFFAOYSA-K
XLogP20.66
TPSA411.10 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002851.44
LogP ≤ 520.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)?
The IUPAC name of dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane) (CID 157066107) is dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane).
What is the SMILES notation for dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)?
The canonical SMILES for dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane) is BrC1CC1.C.Cc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1.Cc1ccncc1OC=O.Cl[Pd]Cl.Nc1cnc(-c2cc(O)ccc2Cl)cn1.Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1.Nc1cnc(Br)cn1.O=CO[O-].OB(O)c1cc(O)ccc1Cl.[H-].[K+].[K+].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 dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)?
The InChIKey is MEPKEPOVYQILOS-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H17ClN4O2.4C18H15P.C13H12ClN3O.C10H8ClN3O.C7H7NO2.C6H6BClO3.C4H4BrN3.C3H5Br.CH2O3.CH4.2ClH.2K.Pd.H/c1-12-6-7-22-9-16(12)20(26)25-19-11-23-18(10-24-19)15-8-14(4-5-17(15)21)27-13-2-3-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-11-4-3-9(18-8-1-2-8)5-10(11)12-6-17-13(15)7-16-12;11-8-2-1-6(15)3-7(8)9-4-14-10(12)5-13-9;1-6-2-3-8-4-7(6)10-5-9;8-6-2-1-4(9)3-5(6)7(10)11;5-3-1-8-4(6)2-7-3;4-3-1-2-3;2-1-4-3;;;;;;;/h4-11,13H,2-3H2,1H3,(H,24,25,26);4*1-15H;3-8H,1-2H2,(H2,15,17);1-5,15H,(H2,12,14);2-5H,1H3;1-3,9-11H;1-2H,(H2,6,8);3H,1-2H2;1,3H;1H4;2*1H;;;;/q;;;;;;;;;;;;;;;2*+1;+2;-1/p-3.
What are the key properties of dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane)?
dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane) has a molecular weight of 2851.44 g/mol, XLogP of 20.66, 25 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-(5-aminopyrazin-2-yl)-4-chlorophenol;bromocyclopropane;5-bromopyrazin-2-amine;5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-amine;N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide;(2-chloro-5-hydroxyphenyl)boronic acid;dichloropalladium;hydride;methane;(4-methyl-3-pyridinyl) formate;oxido formate;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157066107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).