8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride

C24H17Cl3FN5O — CID 68938149

IUPAC8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1COc1ccc(Cl)cc1Cc1cccc(-c2nc3ncncc3[nH]2)n1
InChIInChI=1S/C24H16Cl2FN5O.ClH/c25-16-6-7-22(33-12-14-4-5-17(26)10-19(14)27)15(8-16)9-18-2-1-3-20(30-18)24-31-21-11-28-13-29-23(21)32-24;/h1-8,10-11,13H,9,12H2,(H,28,29,31,32);1H
InChIKeyAOZIDKQHVPJGLW-UHFFFAOYSA-N
MW516.79 g/mol
LogP6.45
Rot. Bonds6

About 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride

8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride (PubChem CID 68938149) has the molecular formula C24H17Cl3FN5O and a molecular weight of 516.79 g/mol. Its IUPAC name is 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride.

Molecular Properties

Compound Name8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride
PubChem CID68938149
Molecular FormulaC24H17Cl3FN5O
Molecular Weight516.79 g/mol
Exact Mass515.05
IUPAC Name8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1COc1ccc(Cl)cc1Cc1cccc(-c2nc3ncncc3[nH]2)n1
InChIInChI=1S/C24H16Cl2FN5O.ClH/c25-16-6-7-22(33-12-14-4-5-17(26)10-19(14)27)15(8-16)9-18-2-1-3-20(30-18)24-31-21-11-28-13-29-23(21)32-24;/h1-8,10-11,13H,9,12H2,(H,28,29,31,32);1H
InChIKeyAOZIDKQHVPJGLW-UHFFFAOYSA-N
XLogP6.45
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.79
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride with MolForge

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Related Compounds

6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
4-chloro-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384279
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide
CID 71519482
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
sodium 6-[[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 68838059
N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
CID 11498213
methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate
CID 71024238
sodium 6-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23690263
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
8-[2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-3-methyl-1H-pyrazol-2-ium-5-yl]-7H-purine
CID 123758916
sodium 5-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate
CID 23686962
sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate
CID 23678184

Frequently Asked Questions

What is the IUPAC name of 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride?
The IUPAC name of 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride (CID 68938149) is 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride.
What is the SMILES notation for 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride?
The canonical SMILES for 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride is Cl.Fc1cc(Cl)ccc1COc1ccc(Cl)cc1Cc1cccc(-c2nc3ncncc3[nH]2)n1.
What is the InChIKey of 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride?
The InChIKey is AOZIDKQHVPJGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2FN5O.ClH/c25-16-6-7-22(33-12-14-4-5-17(26)10-19(14)27)15(8-16)9-18-2-1-3-20(30-18)24-31-21-11-28-13-29-23(21)32-24;/h1-8,10-11,13H,9,12H2,(H,28,29,31,32);1H.
What are the key properties of 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride?
8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride has a molecular weight of 516.79 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]-7H-purine;hydrochloride is sourced from PubChem (CID 68938149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).