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

C21H23N5O2 — CID 67195703

IUPAC8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2cccc3cc[nH]c23)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24)
InChIKeyCIBHPDWILQFTDJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.46
Rot. Bonds5

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

8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one (PubChem CID 67195703) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one
PubChem CID67195703
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2cccc3cc[nH]c23)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24)
InChIKeyCIBHPDWILQFTDJ-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-7-yloxy)-1-propyl-7H-purin-6-one?
The IUPAC name of 8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one (CID 67195703) is 8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one.
What is the SMILES notation for 8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one?
The canonical SMILES for 8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one is CCCn1c(Oc2cccc3cc[nH]c23)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of 8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one?
The InChIKey is CIBHPDWILQFTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24).
What are the key properties of 8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one?
8-cyclopentyl-2-(1H-indol-7-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-7-yloxy)-1-propyl-7H-purin-6-one is sourced from PubChem (CID 67195703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).