2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine

C23H25FN6O — CID 134576571

IUPAC2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCNc1nnc(C)c2c(C)n(-c3cccc(OC(CCN)c4ccccc4F)c3)nc12
InChIInChI=1S/C23H25FN6O/c1-14-21-15(2)30(29-22(21)23(26-3)28-27-14)16-7-6-8-17(13-16)31-20(11-12-25)18-9-4-5-10-19(18)24/h4-10,13,20H,11-12,25H2,1-3H3,(H,26,28)
InChIKeyKXNFVNJMCQONEW-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.08
Rot. Bonds7

About 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine

2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 134576571) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
PubChem CID134576571
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCNc1nnc(C)c2c(C)n(-c3cccc(OC(CCN)c4ccccc4F)c3)nc12
InChIInChI=1S/C23H25FN6O/c1-14-21-15(2)30(29-22(21)23(26-3)28-27-14)16-7-6-8-17(13-16)31-20(11-12-25)18-9-4-5-10-19(18)24/h4-10,13,20H,11-12,25H2,1-3H3,(H,26,28)
InChIKeyKXNFVNJMCQONEW-UHFFFAOYSA-N
XLogP4.08
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine (CID 134576571) is 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine is CNc1nnc(C)c2c(C)n(-c3cccc(OC(CCN)c4ccccc4F)c3)nc12.
What is the InChIKey of 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is KXNFVNJMCQONEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-14-21-15(2)30(29-22(21)23(26-3)28-27-14)16-7-6-8-17(13-16)31-20(11-12-25)18-9-4-5-10-19(18)24/h4-10,13,20H,11-12,25H2,1-3H3,(H,26,28).
What are the key properties of 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 420.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-amino-1-(2-fluorophenyl)propoxy]phenyl]-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 134576571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).