2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine

C76H52BrF15N22O3 — CID 161470149

IUPAC2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine
SMILESCOc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.FC(F)(F)c1cccc(Br)n1.Fc1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nc2nc[nH]c12.Nc1ccncc1F
InChIInChI=1S/C25H18F3N5O2.C24H17F4N7O.C16H9F4N7.C6H3BrF3N.C5H5FN2/c1-34-17-12-10-16(11-13-17)14-33-15-29-21-23(33)31-22(19-8-5-9-20(30-19)25(26,27)28)32-24(21)35-18-6-3-2-4-7-18;1-36-15-7-5-14(6-8-15)12-35-13-30-20-22(32-17-9-10-29-11-16(17)25)33-21(34-23(20)35)18-3-2-4-19(31-18)24(26,27)28;17-8-6-21-5-4-9(8)25-15-12-14(23-7-22-12)26-13(27-15)10-2-1-3-11(24-10)16(18,19)20;7-5-3-1-2-4(11-5)6(8,9)10;6-4-3-8-2-1-5(4)7/h2-13,15H,14H2,1H3;2-11,13H,12H2,1H3,(H,29,32,33,34);1-7H,(H2,21,22,23,25,26,27);1-3H;1-3H,(H2,7,8)
InChIKeyWCYUHINKQWIDLA-UHFFFAOYSA-N
MW1686.28 g/mol
LogP18.38
Rot. Bonds15

About 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine

2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine (PubChem CID 161470149) has the molecular formula C76H52BrF15N22O3 and a molecular weight of 1686.28 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine.

Molecular Properties

Compound Name2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine
PubChem CID161470149
Molecular FormulaC76H52BrF15N22O3
Molecular Weight1686.28 g/mol
Exact Mass1684.35
IUPAC Name2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine
SMILESCOc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.FC(F)(F)c1cccc(Br)n1.Fc1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nc2nc[nH]c12.Nc1ccncc1F
InChIInChI=1S/C25H18F3N5O2.C24H17F4N7O.C16H9F4N7.C6H3BrF3N.C5H5FN2/c1-34-17-12-10-16(11-13-17)14-33-15-29-21-23(33)31-22(19-8-5-9-20(30-19)25(26,27)28)32-24(21)35-18-6-3-2-4-7-18;1-36-15-7-5-14(6-8-15)12-35-13-30-20-22(32-17-9-10-29-11-16(17)25)33-21(34-23(20)35)18-3-2-4-19(31-18)24(26,27)28;17-8-6-21-5-4-9(8)25-15-12-14(23-7-22-12)26-13(27-15)10-2-1-3-11(24-10)16(18,19)20;7-5-3-1-2-4(11-5)6(8,9)10;6-4-3-8-2-1-5(4)7/h2-13,15H,14H2,1H3;2-11,13H,12H2,1H3,(H,29,32,33,34);1-7H,(H2,21,22,23,25,26,27);1-3H;1-3H,(H2,7,8)
InChIKeyWCYUHINKQWIDLA-UHFFFAOYSA-N
XLogP18.38
TPSA309.66 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.28
LogP ≤ 518.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine with MolForge

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Related Compounds

4-[5-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413933
2-[4-[6-bromo-7-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine
CID 25152769
6-Bromo-2-(4-methoxyphenyl)-7-(4-((6-(trifluoromethyl)pyridin-3-yl)methyl)piperazin-1-yl)-3h-imidazo[4,5-b]pyridine
CID 57897265
2-(4-fluorophenyl)-N-[2-[5-fluoro-3-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]indol-1-yl]ethyl]ethanamine
CID 67447800
2-(4-fluorophenyl)-N-[2-[5-fluoro-3-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]indol-1-yl]ethyl]ethanamine
CID 67447803
6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 87735896
N-(2-bromopyridin-4-yl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-amine
CID 126622310
N-(2-bromopyridin-4-yl)-2-[6-(difluoromethyl)pyridin-2-yl]-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 126622379
N-(2-bromopyridin-4-yl)-9-[(4-methoxyphenyl)methyl]-8-methyl-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-amine
CID 126622393
N-(2-bromo-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 126622471
9-[[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-fluorophenyl]methyl]-8-(5-bromo-3-pyridinyl)-2-methoxy-6-methylpurine
CID 138701082
6-[(2-Bromo-4-pyridinyl)oxy]-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purine
CID 140904315

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine?
The IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine (CID 161470149) is 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine.
What is the SMILES notation for 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine?
The canonical SMILES for 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine is COc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.FC(F)(F)c1cccc(Br)n1.Fc1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nc2nc[nH]c12.Nc1ccncc1F.
What is the InChIKey of 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine?
The InChIKey is WCYUHINKQWIDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2.C24H17F4N7O.C16H9F4N7.C6H3BrF3N.C5H5FN2/c1-34-17-12-10-16(11-13-17)14-33-15-29-21-23(33)31-22(19-8-5-9-20(30-19)25(26,27)28)32-24(21)35-18-6-3-2-4-7-18;1-36-15-7-5-14(6-8-15)12-35-13-30-20-22(32-17-9-10-29-11-16(17)25)33-21(34-23(20)35)18-3-2-4-19(31-18)24(26,27)28;17-8-6-21-5-4-9(8)25-15-12-14(23-7-22-12)26-13(27-15)10-2-1-3-11(24-10)16(18,19)20;7-5-3-1-2-4(11-5)6(8,9)10;6-4-3-8-2-1-5(4)7/h2-13,15H,14H2,1H3;2-11,13H,12H2,1H3,(H,29,32,33,34);1-7H,(H2,21,22,23,25,26,27);1-3H;1-3H,(H2,7,8).
What are the key properties of 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine?
2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine has a molecular weight of 1686.28 g/mol, XLogP of 18.38, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(trifluoromethyl)pyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]purine is sourced from PubChem (CID 161470149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).