8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one

C21H23N5O2 — CID 52933192

IUPAC8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-19(24-18(23-17)13-5-3-4-6-13)25-21(26)28-15-7-8-16-14(12-15)9-10-22-16/h7-10,12-13,22H,2-6,11H2,1H3,(H,23,24)
InChIKeyXXDULNLVFUDCAT-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.46
Rot. Bonds5

About 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one

8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one (PubChem CID 52933192) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one
PubChem CID52933192
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-19(24-18(23-17)13-5-3-4-6-13)25-21(26)28-15-7-8-16-14(12-15)9-10-22-16/h7-10,12-13,22H,2-6,11H2,1H3,(H,23,24)
InChIKeyXXDULNLVFUDCAT-UHFFFAOYSA-N
XLogP4.46
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one?
The IUPAC name of 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one (CID 52933192) is 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one.
What is the SMILES notation for 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one?
The canonical SMILES for 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one is CCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one?
The InChIKey is XXDULNLVFUDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-19(24-18(23-17)13-5-3-4-6-13)25-21(26)28-15-7-8-16-14(12-15)9-10-22-16/h7-10,12-13,22H,2-6,11H2,1H3,(H,23,24).
What are the key properties of 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one?
8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one has a molecular weight of 377.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(1H-indol-5-yloxy)-1-propyl-7H-purin-6-one is sourced from PubChem (CID 52933192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).