4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine

C30H35FN6O2 — CID 144973291

IUPAC4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine
SMILESCC[C@@H](C)c1cc(-c2ncnc3nc(-c4ccc(N5CCOCC5)c(F)c4)[nH]c23)ccc1OC1CCNCC1
InChIInChI=1S/C30H35FN6O2/c1-3-19(2)23-16-20(5-7-26(23)39-22-8-10-32-11-9-22)27-28-30(34-18-33-27)36-29(35-28)21-4-6-25(24(31)17-21)37-12-14-38-15-13-37/h4-7,16-19,22,32H,3,8-15H2,1-2H3,(H,33,34,35,36)/t19-/m1/s1
InChIKeyRJFLUUGEJGOZQF-LJQANCHMSA-N
MW530.65 g/mol
LogP5.31
Rot. Bonds7

About 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine

4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine (PubChem CID 144973291) has the molecular formula C30H35FN6O2 and a molecular weight of 530.65 g/mol. Its IUPAC name is 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine
PubChem CID144973291
Molecular FormulaC30H35FN6O2
Molecular Weight530.65 g/mol
Exact Mass530.28
IUPAC Name4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine
SMILESCC[C@@H](C)c1cc(-c2ncnc3nc(-c4ccc(N5CCOCC5)c(F)c4)[nH]c23)ccc1OC1CCNCC1
InChIInChI=1S/C30H35FN6O2/c1-3-19(2)23-16-20(5-7-26(23)39-22-8-10-32-11-9-22)27-28-30(34-18-33-27)36-29(35-28)21-4-6-25(24(31)17-21)37-12-14-38-15-13-37/h4-7,16-19,22,32H,3,8-15H2,1-2H3,(H,33,34,35,36)/t19-/m1/s1
InChIKeyRJFLUUGEJGOZQF-LJQANCHMSA-N
XLogP5.31
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine with MolForge

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Related Compounds

5-tert-Butyl-2-{3-methyl-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-1H-benzoimidazole
CID 11189343
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine
CID 44129168
N-(2,6-dimethylphenyl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 44422570
4-(2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine
CID 44562686
4-(2-(chroman-3-yl)-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine
CID 44563187
4-[2-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine
CID 46882066
N-[1-[8-methyl-1-(1-methylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 49820690
1-methyl-6-(4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 49862145
1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 49862146
trans-(1R,2R)-2-[[[6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 58603337
6-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[[(1S,2R)-2-methoxycyclobutyl]methyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 58603341

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine?
The IUPAC name of 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine (CID 144973291) is 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine.
What is the SMILES notation for 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine?
The canonical SMILES for 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine is CC[C@@H](C)c1cc(-c2ncnc3nc(-c4ccc(N5CCOCC5)c(F)c4)[nH]c23)ccc1OC1CCNCC1.
What is the InChIKey of 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine?
The InChIKey is RJFLUUGEJGOZQF-LJQANCHMSA-N. The full InChI is InChI=1S/C30H35FN6O2/c1-3-19(2)23-16-20(5-7-26(23)39-22-8-10-32-11-9-22)27-28-30(34-18-33-27)36-29(35-28)21-4-6-25(24(31)17-21)37-12-14-38-15-13-37/h4-7,16-19,22,32H,3,8-15H2,1-2H3,(H,33,34,35,36)/t19-/m1/s1.
What are the key properties of 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine?
4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine has a molecular weight of 530.65 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[3-[(2R)-butan-2-yl]-4-piperidin-4-yloxyphenyl]-7H-purin-8-yl]-2-fluorophenyl]morpholine is sourced from PubChem (CID 144973291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).