2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol

C23H19FN6O — CID 143854442

IUPAC2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc3ncc(C4(c5cc6cccnc6cc5F)CC4)n3n2)cn1
InChIInChI=1S/C23H19FN6O/c24-18-11-20-15(2-1-7-25-20)10-17(18)23(5-6-23)21-13-26-22-4-3-19(28-30(21)22)16-12-27-29(14-16)8-9-31/h1-4,7,10-14,31H,5-6,8-9H2
InChIKeyLJJOGGVUHNOUNN-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.35
Rot. Bonds5

About 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol

2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol (PubChem CID 143854442) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
PubChem CID143854442
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc3ncc(C4(c5cc6cccnc6cc5F)CC4)n3n2)cn1
InChIInChI=1S/C23H19FN6O/c24-18-11-20-15(2-1-7-25-20)10-17(18)23(5-6-23)21-13-26-22-4-3-19(28-30(21)22)16-12-27-29(14-16)8-9-31/h1-4,7,10-14,31H,5-6,8-9H2
InChIKeyLJJOGGVUHNOUNN-UHFFFAOYSA-N
XLogP3.35
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol (CID 143854442) is 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2ccc3ncc(C4(c5cc6cccnc6cc5F)CC4)n3n2)cn1.
What is the InChIKey of 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The InChIKey is LJJOGGVUHNOUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c24-18-11-20-15(2-1-7-25-20)10-17(18)23(5-6-23)21-13-26-22-4-3-19(28-30(21)22)16-12-27-29(14-16)8-9-31/h1-4,7,10-14,31H,5-6,8-9H2.
What are the key properties of 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol has a molecular weight of 414.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 143854442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).