3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C22H18F2N4 — CID 162486125

IUPAC3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFc1cccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)c1
InChIInChI=1S/C22H18F2N4/c23-17-6-1-4-15(12-17)19-8-3-11-27(19)22-10-9-21-25-14-20(28(21)26-22)16-5-2-7-18(24)13-16/h1-2,4-7,9-10,12-14,19H,3,8,11H2/t19-/m1/s1
InChIKeyXJVDTUNSUTUUIZ-LJQANCHMSA-N
MW376.41 g/mol
LogP5.02
Rot. Bonds3

About 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 162486125) has the molecular formula C22H18F2N4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID162486125
Molecular FormulaC22H18F2N4
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFc1cccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)c1
InChIInChI=1S/C22H18F2N4/c23-17-6-1-4-15(12-17)19-8-3-11-27(19)22-10-9-21-25-14-20(28(21)26-22)16-5-2-7-18(24)13-16/h1-2,4-7,9-10,12-14,19H,3,8,11H2/t19-/m1/s1
InChIKeyXJVDTUNSUTUUIZ-LJQANCHMSA-N
XLogP5.02
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 162486125) is 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is Fc1cccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)c1.
What is the InChIKey of 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is XJVDTUNSUTUUIZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H18F2N4/c23-17-6-1-4-15(12-17)19-8-3-11-27(19)22-10-9-21-25-14-20(28(21)26-22)16-5-2-7-18(24)13-16/h1-2,4-7,9-10,12-14,19H,3,8,11H2/t19-/m1/s1.
What are the key properties of 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 376.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 162486125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).