2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol

C24H25FN6O2 — CID 25181723

IUPAC2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCN(CCO)CC4)nn23)ccn1
InChIInChI=1S/C24H25FN6O2/c1-33-22-16-18(8-9-26-22)24-23(17-2-4-19(25)5-3-17)27-20-6-7-21(28-31(20)24)30-12-10-29(11-13-30)14-15-32/h2-9,16,32H,10-15H2,1H3
InChIKeyGXNDTQJONUUBLD-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.72
Rot. Bonds6

About 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol

2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol (PubChem CID 25181723) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
PubChem CID25181723
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCN(CCO)CC4)nn23)ccn1
InChIInChI=1S/C24H25FN6O2/c1-33-22-16-18(8-9-26-22)24-23(17-2-4-19(25)5-3-17)27-20-6-7-21(28-31(20)24)30-12-10-29(11-13-30)14-15-32/h2-9,16,32H,10-15H2,1H3
InChIKeyGXNDTQJONUUBLD-UHFFFAOYSA-N
XLogP2.72
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol (CID 25181723) is 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol is COc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCN(CCO)CC4)nn23)ccn1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol?
The InChIKey is GXNDTQJONUUBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-33-22-16-18(8-9-26-22)24-23(17-2-4-19(25)5-3-17)27-20-6-7-21(28-31(20)24)30-12-10-29(11-13-30)14-15-32/h2-9,16,32H,10-15H2,1H3.
What are the key properties of 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol?
2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol has a molecular weight of 448.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 25181723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).