3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine

C73H59F3N22O3 — CID 157226009

IUPAC3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine
SMILESCOc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4ccccn4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4ccccn4)nc32)cc1.Cc1ccccn1.Fc1cnccc1Nc1nc(-c2ccccn2)nc2nc[nH]c12.Nc1ccncc1F
InChIInChI=1S/C24H19N5O2.C23H18FN7O.C15H10FN7.C6H7N.C5H5FN2/c1-30-18-12-10-17(11-13-18)15-29-16-26-21-23(29)27-22(20-9-5-6-14-25-20)28-24(21)31-19-7-3-2-4-8-19;1-32-16-7-5-15(6-8-16)13-31-14-27-20-22(28-18-9-11-25-12-17(18)24)29-21(30-23(20)31)19-4-2-3-10-26-19;16-9-7-17-6-4-10(9)21-15-12-14(20-8-19-12)22-13(23-15)11-3-1-2-5-18-11;1-6-4-2-3-5-7-6;6-4-3-8-2-1-5(4)7/h2-14,16H,15H2,1H3;2-12,14H,13H2,1H3,(H,25,28,29,30);1-8H,(H2,17,19,20,21,22,23);2-5H,1H3;1-3H,(H2,7,8)
InChIKeyATNUSCUGYDKNNW-UHFFFAOYSA-N
MW1349.42 g/mol
LogP13.85
Rot. Bonds15

About 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine

3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine (PubChem CID 157226009) has the molecular formula C73H59F3N22O3 and a molecular weight of 1349.42 g/mol. Its IUPAC name is 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine.

Molecular Properties

Compound Name3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine
PubChem CID157226009
Molecular FormulaC73H59F3N22O3
Molecular Weight1349.42 g/mol
Exact Mass1348.51
IUPAC Name3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine
SMILESCOc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4ccccn4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4ccccn4)nc32)cc1.Cc1ccccn1.Fc1cnccc1Nc1nc(-c2ccccn2)nc2nc[nH]c12.Nc1ccncc1F
InChIInChI=1S/C24H19N5O2.C23H18FN7O.C15H10FN7.C6H7N.C5H5FN2/c1-30-18-12-10-17(11-13-18)15-29-16-26-21-23(29)27-22(20-9-5-6-14-25-20)28-24(21)31-19-7-3-2-4-8-19;1-32-16-7-5-15(6-8-16)13-31-14-27-20-22(28-18-9-11-25-12-17(18)24)29-21(30-23(20)31)19-4-2-3-10-26-19;16-9-7-17-6-4-10(9)21-15-12-14(20-8-19-12)22-13(23-15)11-3-1-2-5-18-11;1-6-4-2-3-5-7-6;6-4-3-8-2-1-5(4)7/h2-14,16H,15H2,1H3;2-12,14H,13H2,1H3,(H,25,28,29,30);1-8H,(H2,17,19,20,21,22,23);2-5H,1H3;1-3H,(H2,7,8)
InChIKeyATNUSCUGYDKNNW-UHFFFAOYSA-N
XLogP13.85
TPSA309.66 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.42
LogP ≤ 513.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine with MolForge

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Launch Full Analysis

Related Compounds

4-indol-1-yl-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 166072363
4-(benzimidazol-1-yl)-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 166072368
2-Phenyl-1-[1-piperidin-4-yl-2-[4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]phenoxy]ethyl]benzimidazole
CID 90644520
5-[6-(methylamino)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155537712
5-[6-(methylamino)pyrazin-2-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155550586
8-(4,4-dimethylcyclohexyl)-10-methoxy-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299814
N5-(4-methoxybenzyl)-N2-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridine-2,5-diamine
CID 59548168
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine
CID 59548370
5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine
CID 86767097
6-methyl-5-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]imidazo[1,2-a]pyrazine
CID 86767098
4-[5-[4-[4-[5-(3-fluoro-4-methoxy-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413822
4-[4-[5-(4-ethoxy-3-fluoro-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-(6-methoxy-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413833

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine?
The IUPAC name of 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine (CID 157226009) is 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine.
What is the SMILES notation for 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine?
The canonical SMILES for 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine is COc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4ccccn4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4ccccn4)nc32)cc1.Cc1ccccn1.Fc1cnccc1Nc1nc(-c2ccccn2)nc2nc[nH]c12.Nc1ccncc1F.
What is the InChIKey of 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine?
The InChIKey is ATNUSCUGYDKNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2.C23H18FN7O.C15H10FN7.C6H7N.C5H5FN2/c1-30-18-12-10-17(11-13-18)15-29-16-26-21-23(29)27-22(20-9-5-6-14-25-20)28-24(21)31-19-7-3-2-4-8-19;1-32-16-7-5-15(6-8-16)13-31-14-27-20-22(28-18-9-11-25-12-17(18)24)29-21(30-23(20)31)19-4-2-3-10-26-19;16-9-7-17-6-4-10(9)21-15-12-14(20-8-19-12)22-13(23-15)11-3-1-2-5-18-11;1-6-4-2-3-5-7-6;6-4-3-8-2-1-5(4)7/h2-14,16H,15H2,1H3;2-12,14H,13H2,1H3,(H,25,28,29,30);1-8H,(H2,17,19,20,21,22,23);2-5H,1H3;1-3H,(H2,7,8).
What are the key properties of 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine?
3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine has a molecular weight of 1349.42 g/mol, XLogP of 13.85, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-7H-purin-6-amine;9-[(4-methoxyphenyl)methyl]-6-phenoxy-2-pyridin-2-ylpurine;2-methylpyridine is sourced from PubChem (CID 157226009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).