2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol

C20H18FN7O — CID 69078688

IUPAC2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
SMILESCC(c1cc2cn[nH]c2cc1F)c1cnc2ccc(-c3cnn(CCO)c3)nn12
InChIInChI=1S/C20H18FN7O/c1-12(15-6-13-8-23-25-18(13)7-16(15)21)19-10-22-20-3-2-17(26-28(19)20)14-9-24-27(11-14)4-5-29/h2-3,6-12,29H,4-5H2,1H3,(H,23,25)
InChIKeyCCKHKWWXFLXLDB-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.75
Rot. Bonds5

About 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol

2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol (PubChem CID 69078688) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
PubChem CID69078688
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC Name2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
SMILESCC(c1cc2cn[nH]c2cc1F)c1cnc2ccc(-c3cnn(CCO)c3)nn12
InChIInChI=1S/C20H18FN7O/c1-12(15-6-13-8-23-25-18(13)7-16(15)21)19-10-22-20-3-2-17(26-28(19)20)14-9-24-27(11-14)4-5-29/h2-3,6-12,29H,4-5H2,1H3,(H,23,25)
InChIKeyCCKHKWWXFLXLDB-UHFFFAOYSA-N
XLogP2.75
TPSA96.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol (CID 69078688) is 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol is CC(c1cc2cn[nH]c2cc1F)c1cnc2ccc(-c3cnn(CCO)c3)nn12.
What is the InChIKey of 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The InChIKey is CCKHKWWXFLXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-12(15-6-13-8-23-25-18(13)7-16(15)21)19-10-22-20-3-2-17(26-28(19)20)14-9-24-27(11-14)4-5-29/h2-3,6-12,29H,4-5H2,1H3,(H,23,25).
What are the key properties of 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol has a molecular weight of 391.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 69078688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).