4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine

C26H26N6O — CID 58102423

IUPAC4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
SMILESCCc1cccc(Cn2cnc3c(-c4ccc5cc[nH]c5c4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C26H26N6O/c1-2-18-4-3-5-19(14-18)16-32-17-28-24-23(21-7-6-20-8-9-27-22(20)15-21)29-26(30-25(24)32)31-10-12-33-13-11-31/h3-9,14-15,17,27H,2,10-13,16H2,1H3
InChIKeyKZAMIOLLLPDJEL-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.42
Rot. Bonds5

About 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine

4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine (PubChem CID 58102423) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine.

Molecular Properties

Compound Name4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
PubChem CID58102423
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
SMILESCCc1cccc(Cn2cnc3c(-c4ccc5cc[nH]c5c4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C26H26N6O/c1-2-18-4-3-5-19(14-18)16-32-17-28-24-23(21-7-6-20-8-9-27-22(20)15-21)29-26(30-25(24)32)31-10-12-33-13-11-31/h3-9,14-15,17,27H,2,10-13,16H2,1H3
InChIKeyKZAMIOLLLPDJEL-UHFFFAOYSA-N
XLogP4.42
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine?
The IUPAC name of 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine (CID 58102423) is 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine.
What is the SMILES notation for 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine?
The canonical SMILES for 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine is CCc1cccc(Cn2cnc3c(-c4ccc5cc[nH]c5c4)nc(N4CCOCC4)nc32)c1.
What is the InChIKey of 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine?
The InChIKey is KZAMIOLLLPDJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-2-18-4-3-5-19(14-18)16-32-17-28-24-23(21-7-6-20-8-9-27-22(20)15-21)29-26(30-25(24)32)31-10-12-33-13-11-31/h3-9,14-15,17,27H,2,10-13,16H2,1H3.
What are the key properties of 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine?
4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine has a molecular weight of 438.54 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine is sourced from PubChem (CID 58102423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).