2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine

C17H15FN8 — CID 70983209

IUPAC2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine
SMILESNc1nc(-c2nc(Cc3ccccc3F)n3ncccc23)nc(N)c1N
InChIInChI=1S/C17H15FN8/c18-10-5-2-1-4-9(10)8-12-23-14(11-6-3-7-22-26(11)12)17-24-15(20)13(19)16(21)25-17/h1-7H,8,19H2,(H4,20,21,24,25)
InChIKeySCJNJARNHIYESW-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.66
Rot. Bonds3

About 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine

2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine (PubChem CID 70983209) has the molecular formula C17H15FN8 and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine
PubChem CID70983209
Molecular FormulaC17H15FN8
Molecular Weight350.36 g/mol
Exact Mass350.14
IUPAC Name2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine
SMILESNc1nc(-c2nc(Cc3ccccc3F)n3ncccc23)nc(N)c1N
InChIInChI=1S/C17H15FN8/c18-10-5-2-1-4-9(10)8-12-23-14(11-6-3-7-22-26(11)12)17-24-15(20)13(19)16(21)25-17/h1-7H,8,19H2,(H4,20,21,24,25)
InChIKeySCJNJARNHIYESW-UHFFFAOYSA-N
XLogP1.66
TPSA134.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine?
The IUPAC name of 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine (CID 70983209) is 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine is Nc1nc(-c2nc(Cc3ccccc3F)n3ncccc23)nc(N)c1N.
What is the InChIKey of 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine?
The InChIKey is SCJNJARNHIYESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN8/c18-10-5-2-1-4-9(10)8-12-23-14(11-6-3-7-22-26(11)12)17-24-15(20)13(19)16(21)25-17/h1-7H,8,19H2,(H4,20,21,24,25).
What are the key properties of 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine?
2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine has a molecular weight of 350.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 70983209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).