3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine

C26H27FN6O2 — CID 58335720

IUPAC3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine
SMILESFc1cccc(C2COCCN2c2ccc3ncc(-c4cccc(OC5CCNCC5)n4)n3n2)c1
InChIInChI=1S/C26H27FN6O2/c27-19-4-1-3-18(15-19)23-17-34-14-13-32(23)25-8-7-24-29-16-22(33(24)31-25)21-5-2-6-26(30-21)35-20-9-11-28-12-10-20/h1-8,15-16,20,23,28H,9-14,17H2
InChIKeyHHYSNMKBQLUPIB-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.64
Rot. Bonds5

About 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine

3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine (PubChem CID 58335720) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine
PubChem CID58335720
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine
SMILESFc1cccc(C2COCCN2c2ccc3ncc(-c4cccc(OC5CCNCC5)n4)n3n2)c1
InChIInChI=1S/C26H27FN6O2/c27-19-4-1-3-18(15-19)23-17-34-14-13-32(23)25-8-7-24-29-16-22(33(24)31-25)21-5-2-6-26(30-21)35-20-9-11-28-12-10-20/h1-8,15-16,20,23,28H,9-14,17H2
InChIKeyHHYSNMKBQLUPIB-UHFFFAOYSA-N
XLogP3.64
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The IUPAC name of 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine (CID 58335720) is 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The canonical SMILES for 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine is Fc1cccc(C2COCCN2c2ccc3ncc(-c4cccc(OC5CCNCC5)n4)n3n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The InChIKey is HHYSNMKBQLUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c27-19-4-1-3-18(15-19)23-17-34-14-13-32(23)25-8-7-24-29-16-22(33(24)31-25)21-5-2-6-26(30-21)35-20-9-11-28-12-10-20/h1-8,15-16,20,23,28H,9-14,17H2.
What are the key properties of 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine has a molecular weight of 474.54 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[3-(6-piperidin-4-yloxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 58335720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).