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

C76H56BrF11N22O3 — CID 159287145

IUPAC2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine
SMILESCOc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4cccc(C(F)F)n4)nc32)cc1.FC(F)c1cccc(Br)n1.Fc1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nc2nc[nH]c12.Nc1ccncc1F
InChIInChI=1S/C25H19F2N5O2.C24H18F3N7O.C16H10F3N7.C6H4BrF2N.C5H5FN2/c1-33-17-12-10-16(11-13-17)14-32-15-28-21-24(32)30-23(20-9-5-8-19(29-20)22(26)27)31-25(21)34-18-6-3-2-4-7-18;1-35-15-7-5-14(6-8-15)12-34-13-29-20-23(31-17-9-10-28-11-16(17)25)32-22(33-24(20)34)19-4-2-3-18(30-19)21(26)27;17-8-6-20-5-4-9(8)24-16-12-15(22-7-21-12)25-14(26-16)11-3-1-2-10(23-11)13(18)19;7-5-3-1-2-4(10-5)6(8)9;6-4-3-8-2-1-5(4)7/h2-13,15,22H,14H2,1H3;2-11,13,21H,12H2,1H3,(H,28,31,32,33);1-7,13H,(H2,20,21,22,24,25,26);1-3,6H;1-3H,(H2,7,8)
InChIKeyKZQQISAMCYGWTM-UHFFFAOYSA-N
MW1614.32 g/mol
LogP18.05
Rot. Bonds19

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

2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine (PubChem CID 159287145) has the molecular formula C76H56BrF11N22O3 and a molecular weight of 1614.32 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine
PubChem CID159287145
Molecular FormulaC76H56BrF11N22O3
Molecular Weight1614.32 g/mol
Exact Mass1612.39
IUPAC Name2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine
SMILESCOc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4cccc(C(F)F)n4)nc32)cc1.FC(F)c1cccc(Br)n1.Fc1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nc2nc[nH]c12.Nc1ccncc1F
InChIInChI=1S/C25H19F2N5O2.C24H18F3N7O.C16H10F3N7.C6H4BrF2N.C5H5FN2/c1-33-17-12-10-16(11-13-17)14-32-15-28-21-24(32)30-23(20-9-5-8-19(29-20)22(26)27)31-25(21)34-18-6-3-2-4-7-18;1-35-15-7-5-14(6-8-15)12-34-13-29-20-23(31-17-9-10-28-11-16(17)25)32-22(33-24(20)34)19-4-2-3-18(30-19)21(26)27;17-8-6-20-5-4-9(8)24-16-12-15(22-7-21-12)25-14(26-16)11-3-1-2-10(23-11)13(18)19;7-5-3-1-2-4(10-5)6(8)9;6-4-3-8-2-1-5(4)7/h2-13,15,22H,14H2,1H3;2-11,13,21H,12H2,1H3,(H,28,31,32,33);1-7,13H,(H2,20,21,22,24,25,26);1-3,6H;1-3H,(H2,7,8)
InChIKeyKZQQISAMCYGWTM-UHFFFAOYSA-N
XLogP18.05
TPSA309.66 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.32
LogP ≤ 518.05
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-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine 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-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine?
The IUPAC name of 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine (CID 159287145) is 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine?
The canonical SMILES for 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine is COc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4cccc(C(F)F)n4)nc32)cc1.FC(F)c1cccc(Br)n1.Fc1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nc2nc[nH]c12.Nc1ccncc1F.
What is the InChIKey of 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine?
The InChIKey is KZQQISAMCYGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O2.C24H18F3N7O.C16H10F3N7.C6H4BrF2N.C5H5FN2/c1-33-17-12-10-16(11-13-17)14-32-15-28-21-24(32)30-23(20-9-5-8-19(29-20)22(26)27)31-25(21)34-18-6-3-2-4-7-18;1-35-15-7-5-14(6-8-15)12-34-13-29-20-23(31-17-9-10-28-11-16(17)25)32-22(33-24(20)34)19-4-2-3-18(30-19)21(26)27;17-8-6-20-5-4-9(8)24-16-12-15(22-7-21-12)25-14(26-16)11-3-1-2-10(23-11)13(18)19;7-5-3-1-2-4(10-5)6(8)9;6-4-3-8-2-1-5(4)7/h2-13,15,22H,14H2,1H3;2-11,13,21H,12H2,1H3,(H,28,31,32,33);1-7,13H,(H2,20,21,22,24,25,26);1-3,6H;1-3H,(H2,7,8).
What are the key properties of 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine?
2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine has a molecular weight of 1614.32 g/mol, XLogP of 18.05, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine is sourced from PubChem (CID 159287145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).