8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one

C19H23N5O2 — CID 52933926

IUPAC8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2cccnc2C)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22)
InChIKeyPOQLXHUEHZSOCW-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.68
Rot. Bonds5

About 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one

8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one (PubChem CID 52933926) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
PubChem CID52933926
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2cccnc2C)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22)
InChIKeyPOQLXHUEHZSOCW-UHFFFAOYSA-N
XLogP3.68
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 11675867
N-(2-(6-Methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)ethyl)acetamide
CID 11702296
8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
CID 52933190
2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one
CID 52933191
2-[(2-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one
CID 52934382
8-cyclopentyl-2-(1H-indol-7-yloxy)-1-propyl-7H-purin-6-one
CID 67195703
8-cyclopentyl-2-[(4-methyl-2-pyridinyl)oxy]-1-propyl-7H-purin-6-one
CID 70656885
1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone
CID 58546934
N-benzyl-N-methyl-3-({[2-(3-pyridinyloxy)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 16191830
N-benzyl-N-methyl-3-({[3-(pyridin-3-yloxy)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 16191852
N-[(2R)-1-Hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 86718225
8-(cyclobutylmethoxy)-N-[2-(1-hydroxycyclohexyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115533

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one?
The IUPAC name of 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one (CID 52933926) is 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one.
What is the SMILES notation for 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one?
The canonical SMILES for 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one is CCCn1c(Oc2cccnc2C)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one?
The InChIKey is POQLXHUEHZSOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22).
What are the key properties of 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one?
8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one has a molecular weight of 353.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one is sourced from PubChem (CID 52933926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).