2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one

C18H20ClN5O2 — CID 52933191

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2cncc(Cl)c2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)
InChIKeyPWBRVNOLYDAPNP-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.03
Rot. Bonds5

About 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one

2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one (PubChem CID 52933191) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one
PubChem CID52933191
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2cncc(Cl)c2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)
InChIKeyPWBRVNOLYDAPNP-UHFFFAOYSA-N
XLogP4.03
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-cyclopentyl-2-[(2-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
CID 52933926
8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
CID 52933190
2-[(2-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one
CID 52934382
8-cyclopentyl-2-[(4-methyl-2-pyridinyl)oxy]-1-propyl-7H-purin-6-one
CID 70656885
8-cyclopentyl-1-propyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7H-purin-6-one
CID 52933925
N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717984
N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90113984
N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90113986
6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114255
rac-N-(2-Amino-2,4-dimethylpentyl)-6-chloro-8-[(2,6-difluorobenzyl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114332
N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114691
8-cyclopentyl-3-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7H-purin-6-one
CID 123551803

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one (CID 52933191) is 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one is CCCn1c(Oc2cncc(Cl)c2)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one?
The InChIKey is PWBRVNOLYDAPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22).
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one?
2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one has a molecular weight of 373.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-8-cyclopentyl-1-propyl-7H-purin-6-one is sourced from PubChem (CID 52933191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).