3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)

C127H103BrCl3FN8O2P4Pd — CID 158287250

IUPAC3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)
SMILESCCOC(=O)c1cnc(-c2cccc3cccc(C)c23)c(C#N)c1N.Cc1cccc2cccc(-c3ncc4c(Cl)nc(Cl)nc4c3F)c12.Cc1cccc2cccc(C)c12.Nc1ccnc(Cl)c1Br.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17N3O2.C18H10Cl2FN3.4C18H15P.C12H12.C5H4BrClN2.Pd/c1-3-25-20(24)16-11-23-19(15(10-21)18(16)22)14-9-5-8-13-7-4-6-12(2)17(13)14;1-9-4-2-5-10-6-3-7-11(13(9)10)15-14(21)16-12(8-22-15)17(19)24-18(20)23-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-3-7-11-8-4-6-10(2)12(9)11;6-4-3(8)1-2-9-5(4)7;/h4-9,11H,3H2,1-2H3,(H2,22,23);2-8H,1H3;4*1-15H;3-8H,1-2H3;1-2H,(H2,8,9);
InChIKeyGKXSHRZEYSFDDM-UHFFFAOYSA-N
MW2208.85 g/mol
LogP28.75
Rot. Bonds16

About 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)

3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane) (PubChem CID 158287250) has the molecular formula C127H103BrCl3FN8O2P4Pd and a molecular weight of 2208.85 g/mol. Its IUPAC name is 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)
PubChem CID158287250
Molecular FormulaC127H103BrCl3FN8O2P4Pd
Molecular Weight2208.85 g/mol
Exact Mass2204.44
IUPAC Name3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)
SMILESCCOC(=O)c1cnc(-c2cccc3cccc(C)c23)c(C#N)c1N.Cc1cccc2cccc(-c3ncc4c(Cl)nc(Cl)nc4c3F)c12.Cc1cccc2cccc(C)c12.Nc1ccnc(Cl)c1Br.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17N3O2.C18H10Cl2FN3.4C18H15P.C12H12.C5H4BrClN2.Pd/c1-3-25-20(24)16-11-23-19(15(10-21)18(16)22)14-9-5-8-13-7-4-6-12(2)17(13)14;1-9-4-2-5-10-6-3-7-11(13(9)10)15-14(21)16-12(8-22-15)17(19)24-18(20)23-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-3-7-11-8-4-6-10(2)12(9)11;6-4-3(8)1-2-9-5(4)7;/h4-9,11H,3H2,1-2H3,(H2,22,23);2-8H,1H3;4*1-15H;3-8H,1-2H3;1-2H,(H2,8,9);
InChIKeyGKXSHRZEYSFDDM-UHFFFAOYSA-N
XLogP28.75
TPSA166.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002208.85
LogP ≤ 528.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

3-Aminobenzonitrile;2-bromopyridine;methyl 4-chloroquinazoline-8-carboxylate;methyl 4-[[3-(pyridin-2-ylmethyl)phenyl]methylamino]quinazoline-8-carboxylate;3-(pyridin-2-ylmethyl)benzonitrile;[3-(pyridin-2-ylmethyl)phenyl]methanamine;4-[[3-(pyridin-2-ylmethyl)phenyl]methylamino]quinazoline-8-carboxamide;hydrochloride
CID 160681131

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane) (CID 158287250) is 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane) is CCOC(=O)c1cnc(-c2cccc3cccc(C)c23)c(C#N)c1N.Cc1cccc2cccc(-c3ncc4c(Cl)nc(Cl)nc4c3F)c12.Cc1cccc2cccc(C)c12.Nc1ccnc(Cl)c1Br.[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-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)?
The InChIKey is GKXSHRZEYSFDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2.C18H10Cl2FN3.4C18H15P.C12H12.C5H4BrClN2.Pd/c1-3-25-20(24)16-11-23-19(15(10-21)18(16)22)14-9-5-8-13-7-4-6-12(2)17(13)14;1-9-4-2-5-10-6-3-7-11(13(9)10)15-14(21)16-12(8-22-15)17(19)24-18(20)23-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-3-7-11-8-4-6-10(2)12(9)11;6-4-3(8)1-2-9-5(4)7;/h4-9,11H,3H2,1-2H3,(H2,22,23);2-8H,1H3;4*1-15H;3-8H,1-2H3;1-2H,(H2,8,9);.
What are the key properties of 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane)?
3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2208.85 g/mol, XLogP of 28.75, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloropyridin-4-amine;2,4-dichloro-8-fluoro-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine;1,8-dimethylnaphthalene;ethyl 4-amino-5-cyano-6-(8-methylnaphthalen-1-yl)pyridine-3-carboxylate;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158287250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).