4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine

C26H26FN7O — CID 44519019

IUPAC4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine
SMILESFc1cccc(C2COCCN2c2ccc3ncc(-c4cccc(N5CC6CC5CN6)n4)n3n2)c1
InChIInChI=1S/C26H26FN7O/c27-18-4-1-3-17(11-18)23-16-35-10-9-32(23)26-8-7-24-29-14-22(34(24)31-26)21-5-2-6-25(30-21)33-15-19-12-20(33)13-28-19/h1-8,11,14,19-20,23,28H,9-10,12-13,15-16H2
InChIKeyAHPVFGDQDHMQPY-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.06
Rot. Bonds4

About 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine

4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine (PubChem CID 44519019) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine
PubChem CID44519019
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC Name4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine
SMILESFc1cccc(C2COCCN2c2ccc3ncc(-c4cccc(N5CC6CC5CN6)n4)n3n2)c1
InChIInChI=1S/C26H26FN7O/c27-18-4-1-3-17(11-18)23-16-35-10-9-32(23)26-8-7-24-29-14-22(34(24)31-26)21-5-2-6-25(30-21)33-15-19-12-20(33)13-28-19/h1-8,11,14,19-20,23,28H,9-10,12-13,15-16H2
InChIKeyAHPVFGDQDHMQPY-UHFFFAOYSA-N
XLogP3.06
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine?
The IUPAC name of 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine (CID 44519019) is 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine.
What is the SMILES notation for 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine?
The canonical SMILES for 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine is Fc1cccc(C2COCCN2c2ccc3ncc(-c4cccc(N5CC6CC5CN6)n4)n3n2)c1.
What is the InChIKey of 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine?
The InChIKey is AHPVFGDQDHMQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O/c27-18-4-1-3-17(11-18)23-16-35-10-9-32(23)26-8-7-24-29-14-22(34(24)31-26)21-5-2-6-25(30-21)33-15-19-12-20(33)13-28-19/h1-8,11,14,19-20,23,28H,9-10,12-13,15-16H2.
What are the key properties of 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine?
4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine has a molecular weight of 471.54 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(3-fluorophenyl)morpholine is sourced from PubChem (CID 44519019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).