2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol

C26H32FN7O2 — CID 71456597

IUPAC2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2nc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3[nH]2)CC1
InChIInChI=1S/C26H32FN7O2/c1-26(2,35)16-6-9-33(10-7-16)15-20-29-22-24(30-20)31-23(32-25(22)34-11-13-36-14-12-34)21-17-5-8-28-19(17)4-3-18(21)27/h3-5,8,16,28,35H,6-7,9-15H2,1-2H3,(H,29,30,31,32)
InChIKeyCMAGXJPITUBCNL-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.46
Rot. Bonds5

About 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 71456597) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID71456597
Molecular FormulaC26H32FN7O2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC Name2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2nc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3[nH]2)CC1
InChIInChI=1S/C26H32FN7O2/c1-26(2,35)16-6-9-33(10-7-16)15-20-29-22-24(30-20)31-23(32-25(22)34-11-13-36-14-12-34)21-17-5-8-28-19(17)4-3-18(21)27/h3-5,8,16,28,35H,6-7,9-15H2,1-2H3,(H,29,30,31,32)
InChIKeyCMAGXJPITUBCNL-UHFFFAOYSA-N
XLogP3.46
TPSA106.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol (CID 71456597) is 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2nc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3[nH]2)CC1.
What is the InChIKey of 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is CMAGXJPITUBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-26(2,35)16-6-9-33(10-7-16)15-20-29-22-24(30-20)31-23(32-25(22)34-11-13-36-14-12-34)21-17-5-8-28-19(17)4-3-18(21)27/h3-5,8,16,28,35H,6-7,9-15H2,1-2H3,(H,29,30,31,32).
What are the key properties of 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 493.59 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 71456597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).