2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine

C22H20F2N6 — CID 71007300

IUPAC2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESFc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3N3CCCCC3)n2n1
InChIInChI=1S/C22H20F2N6/c23-16-5-4-6-17(24)21(16)18-8-7-15-13-26-22(30(15)28-18)27-19-14-25-10-9-20(19)29-11-2-1-3-12-29/h4-10,13-14H,1-3,11-12H2,(H,26,27)
InChIKeyHBTNSXWZJPWSMF-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.80
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine

2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007300) has the molecular formula C22H20F2N6 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID71007300
Molecular FormulaC22H20F2N6
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Name2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESFc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3N3CCCCC3)n2n1
InChIInChI=1S/C22H20F2N6/c23-16-5-4-6-17(24)21(16)18-8-7-15-13-26-22(30(15)28-18)27-19-14-25-10-9-20(19)29-11-2-1-3-12-29/h4-10,13-14H,1-3,11-12H2,(H,26,27)
InChIKeyHBTNSXWZJPWSMF-UHFFFAOYSA-N
XLogP4.80
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (CID 71007300) is 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is Fc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3N3CCCCC3)n2n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is HBTNSXWZJPWSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6/c23-16-5-4-6-17(24)21(16)18-8-7-15-13-26-22(30(15)28-18)27-19-14-25-10-9-20(19)29-11-2-1-3-12-29/h4-10,13-14H,1-3,11-12H2,(H,26,27).
What are the key properties of 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 406.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).