2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol

C21H25FN4O — CID 71235271

IUPAC2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1
InChIInChI=1S/C21H25FN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-20-23-13-18(26(20)25-19)14-4-3-5-16(22)12-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25)
InChIKeyLTKKGHAPQYJRCK-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.28
Rot. Bonds4

About 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol

2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol (PubChem CID 71235271) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
PubChem CID71235271
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1
InChIInChI=1S/C21H25FN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-20-23-13-18(26(20)25-19)14-4-3-5-16(22)12-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25)
InChIKeyLTKKGHAPQYJRCK-UHFFFAOYSA-N
XLogP4.28
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol (CID 71235271) is 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(Nc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1.
What is the InChIKey of 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
The InChIKey is LTKKGHAPQYJRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-20-23-13-18(26(20)25-19)14-4-3-5-16(22)12-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol?
2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol has a molecular weight of 368.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(3-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 71235271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).