N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

C21H22FN5 — CID 91000782

IUPACN-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESFC1C2CC3CC1CC(Nc1ccc4ncc(-c5ccncc5)n4n1)(C3)C2
InChIInChI=1S/C21H22FN5/c22-20-15-7-13-8-16(20)11-21(9-13,10-15)25-18-1-2-19-24-12-17(27(19)26-18)14-3-5-23-6-4-14/h1-6,12-13,15-16,20H,7-11H2,(H,25,26)
InChIKeyCWVASZUSGZLVLN-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.12
Rot. Bonds3

About N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 91000782) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID91000782
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC NameN-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESFC1C2CC3CC1CC(Nc1ccc4ncc(-c5ccncc5)n4n1)(C3)C2
InChIInChI=1S/C21H22FN5/c22-20-15-7-13-8-16(20)11-21(9-13,10-15)25-18-1-2-19-24-12-17(27(19)26-18)14-3-5-23-6-4-14/h1-6,12-13,15-16,20H,7-11H2,(H,25,26)
InChIKeyCWVASZUSGZLVLN-UHFFFAOYSA-N
XLogP4.12
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (CID 91000782) is N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is FC1C2CC3CC1CC(Nc1ccc4ncc(-c5ccncc5)n4n1)(C3)C2.
What is the InChIKey of N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CWVASZUSGZLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c22-20-15-7-13-8-16(20)11-21(9-13,10-15)25-18-1-2-19-24-12-17(27(19)26-18)14-3-5-23-6-4-14/h1-6,12-13,15-16,20H,7-11H2,(H,25,26).
What are the key properties of N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 363.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 91000782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).