8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine

C15H9ClFN7 — CID 67382661

IUPAC8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine
SMILESFc1cccc(Cl)c1-c1nc2ncnc(Nc3cccnn3)c2[nH]1
InChIInChI=1S/C15H9ClFN7/c16-8-3-1-4-9(17)11(8)13-22-12-14(18-7-19-15(12)23-13)21-10-5-2-6-20-24-10/h1-7H,(H2,18,19,21,22,23,24)
InChIKeyLALCGTUXZJAYNR-UHFFFAOYSA-N
MW341.74 g/mol
LogP3.35
Rot. Bonds3

About 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine

8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine (PubChem CID 67382661) has the molecular formula C15H9ClFN7 and a molecular weight of 341.74 g/mol. Its IUPAC name is 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine.

Molecular Properties

Compound Name8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine
PubChem CID67382661
Molecular FormulaC15H9ClFN7
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC Name8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine
SMILESFc1cccc(Cl)c1-c1nc2ncnc(Nc3cccnn3)c2[nH]1
InChIInChI=1S/C15H9ClFN7/c16-8-3-1-4-9(17)11(8)13-22-12-14(18-7-19-15(12)23-13)21-10-5-2-6-20-24-10/h1-7H,(H2,18,19,21,22,23,24)
InChIKeyLALCGTUXZJAYNR-UHFFFAOYSA-N
XLogP3.35
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine 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

N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide
CID 67383579
5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile
CID 67383519
4-N-[8-(2-chloro-3,6-difluorophenyl)-7H-purin-6-yl]pyrimidine-4,6-diamine
CID 67383690
1-[8-(2,6-dichlorophenyl)-7H-purin-6-yl]-3-methylurea
CID 67383980
[2-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]-4-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
CID 67383525
[2-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-4-pyridinyl]methanol
CID 66803370
N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383622
[6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol
CID 67383021
2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 24860777
2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67388176
2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 141309918
2-(2,6-dichlorophenyl)-N-(6-methylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383612

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine?
The IUPAC name of 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine (CID 67382661) is 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine.
What is the SMILES notation for 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine?
The canonical SMILES for 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine is Fc1cccc(Cl)c1-c1nc2ncnc(Nc3cccnn3)c2[nH]1.
What is the InChIKey of 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine?
The InChIKey is LALCGTUXZJAYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN7/c16-8-3-1-4-9(17)11(8)13-22-12-14(18-7-19-15(12)23-13)21-10-5-2-6-20-24-10/h1-7H,(H2,18,19,21,22,23,24).
What are the key properties of 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine?
8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine has a molecular weight of 341.74 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine is sourced from PubChem (CID 67382661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).