6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine

C20H14FN7 — CID 90240365

IUPAC6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine
SMILESNc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1
InChIInChI=1S/C20H14FN7/c21-14-5-3-13(4-6-14)19-20(27(12-24-19)15-2-1-9-23-10-15)16-7-8-18-25-17(22)11-28(18)26-16/h1-12H,22H2
InChIKeyJJJBVGFALAAFTM-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.37
Rot. Bonds3

About 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine

6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine (PubChem CID 90240365) has the molecular formula C20H14FN7 and a molecular weight of 371.38 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine
PubChem CID90240365
Molecular FormulaC20H14FN7
Molecular Weight371.38 g/mol
Exact Mass371.13
IUPAC Name6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine
SMILESNc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1
InChIInChI=1S/C20H14FN7/c21-14-5-3-13(4-6-14)19-20(27(12-24-19)15-2-1-9-23-10-15)16-7-8-18-25-17(22)11-28(18)26-16/h1-12H,22H2
InChIKeyJJJBVGFALAAFTM-UHFFFAOYSA-N
XLogP3.37
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine (CID 90240365) is 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine is Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is JJJBVGFALAAFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7/c21-14-5-3-13(4-6-14)19-20(27(12-24-19)15-2-1-9-23-10-15)16-7-8-18-25-17(22)11-28(18)26-16/h1-12H,22H2.
What are the key properties of 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine?
6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 371.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 90240365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).