6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine

C59H62F3N27O — CID 158302481

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine
SMILESCOc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1.FC(F)(F)c1cccc(N2CCN(c3ncnc4nc[nH]c34)CC2)c1.c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1.c1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1
InChIInChI=1S/C16H15F3N6.C16H18N6O.C14H15N7.C13H14N8/c17-16(18,19)11-2-1-3-12(8-11)24-4-6-25(7-5-24)15-13-14(21-9-20-13)22-10-23-15;1-23-13-5-3-2-4-12(13)21-6-8-22(9-7-21)16-14-15(18-10-17-14)19-11-20-16;1-2-4-15-11(3-1)20-5-7-21(8-6-20)14-12-13(17-9-16-12)18-10-19-14;1-2-14-13(15-3-1)21-6-4-20(5-7-21)12-10-11(17-8-16-10)18-9-19-12/h1-3,8-10H,4-7H2,(H,20,21,22,23);2-5,10-11H,6-9H2,1H3,(H,17,18,19,20);1-4,9-10H,5-8H2,(H,16,17,18,19);1-3,8-9H,4-7H2,(H,16,17,18,19)
InChIKeyGMQWHFIAJYKPGW-UHFFFAOYSA-N
MW1222.33 g/mol
LogP5.93
Rot. Bonds9

About 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine

6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine (PubChem CID 158302481) has the molecular formula C59H62F3N27O and a molecular weight of 1222.33 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine
PubChem CID158302481
Molecular FormulaC59H62F3N27O
Molecular Weight1222.33 g/mol
Exact Mass1221.56
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine
SMILESCOc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1.FC(F)(F)c1cccc(N2CCN(c3ncnc4nc[nH]c34)CC2)c1.c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1.c1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1
InChIInChI=1S/C16H15F3N6.C16H18N6O.C14H15N7.C13H14N8/c17-16(18,19)11-2-1-3-12(8-11)24-4-6-25(7-5-24)15-13-14(21-9-20-13)22-10-23-15;1-23-13-5-3-2-4-12(13)21-6-8-22(9-7-21)16-14-15(18-10-17-14)19-11-20-16;1-2-4-15-11(3-1)20-5-7-21(8-6-20)14-12-13(17-9-16-12)18-10-19-14;1-2-14-13(15-3-1)21-6-4-20(5-7-21)12-10-11(17-8-16-10)18-9-19-12/h1-3,8-10H,4-7H2,(H,20,21,22,23);2-5,10-11H,6-9H2,1H3,(H,17,18,19,20);1-4,9-10H,5-8H2,(H,16,17,18,19);1-3,8-9H,4-7H2,(H,16,17,18,19)
InChIKeyGMQWHFIAJYKPGW-UHFFFAOYSA-N
XLogP5.93
TPSA291.66 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.33
LogP ≤ 55.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine with MolForge

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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
5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455406
2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456251
1-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-c]pyridine
CID 145975243
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine
CID 59548370
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-[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
4-[5-[4-[4-[5-(3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413994
US10112944, Example 15
CID 122540236
US10112944, Example 19
CID 122540243
2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455393

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine (CID 158302481) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine is COc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1.FC(F)(F)c1cccc(N2CCN(c3ncnc4nc[nH]c34)CC2)c1.c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1.c1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine?
The InChIKey is GMQWHFIAJYKPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6.C16H18N6O.C14H15N7.C13H14N8/c17-16(18,19)11-2-1-3-12(8-11)24-4-6-25(7-5-24)15-13-14(21-9-20-13)22-10-23-15;1-23-13-5-3-2-4-12(13)21-6-8-22(9-7-21)16-14-15(18-10-17-14)19-11-20-16;1-2-4-15-11(3-1)20-5-7-21(8-6-20)14-12-13(17-9-16-12)18-10-19-14;1-2-14-13(15-3-1)21-6-4-20(5-7-21)12-10-11(17-8-16-10)18-9-19-12/h1-3,8-10H,4-7H2,(H,20,21,22,23);2-5,10-11H,6-9H2,1H3,(H,17,18,19,20);1-4,9-10H,5-8H2,(H,16,17,18,19);1-3,8-9H,4-7H2,(H,16,17,18,19).
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine has a molecular weight of 1222.33 g/mol, XLogP of 5.93, 9 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine;6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine;6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine;6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine is sourced from PubChem (CID 158302481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).