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

C24H25FN8 — CID 69079500

IUPAC3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine
SMILESCC(c1cc2cn[nH]c2cc1F)c1cnc2ccc(-c3cnn(C4CCN(C)CC4)c3)nn12
InChIInChI=1S/C24H25FN8/c1-15(19-9-16-11-27-29-22(16)10-20(19)25)23-13-26-24-4-3-21(30-33(23)24)17-12-28-32(14-17)18-5-7-31(2)8-6-18/h3-4,9-15,18H,5-8H2,1-2H3,(H,27,29)
InChIKeyQGXBRBSIRGYSOJ-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.03
Rot. Bonds4

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

3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 69079500) has the molecular formula C24H25FN8 and a molecular weight of 444.52 g/mol. Its IUPAC name is 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine
PubChem CID69079500
Molecular FormulaC24H25FN8
Molecular Weight444.52 g/mol
Exact Mass444.22
IUPAC Name3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine
SMILESCC(c1cc2cn[nH]c2cc1F)c1cnc2ccc(-c3cnn(C4CCN(C)CC4)c3)nn12
InChIInChI=1S/C24H25FN8/c1-15(19-9-16-11-27-29-22(16)10-20(19)25)23-13-26-24-4-3-21(30-33(23)24)17-12-28-32(14-17)18-5-7-31(2)8-6-18/h3-4,9-15,18H,5-8H2,1-2H3,(H,27,29)
InChIKeyQGXBRBSIRGYSOJ-UHFFFAOYSA-N
XLogP4.03
TPSA79.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine (CID 69079500) is 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine is CC(c1cc2cn[nH]c2cc1F)c1cnc2ccc(-c3cnn(C4CCN(C)CC4)c3)nn12.
What is the InChIKey of 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine?
The InChIKey is QGXBRBSIRGYSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8/c1-15(19-9-16-11-27-29-22(16)10-20(19)25)23-13-26-24-4-3-21(30-33(23)24)17-12-28-32(14-17)18-5-7-31(2)8-6-18/h3-4,9-15,18H,5-8H2,1-2H3,(H,27,29).
What are the key properties of 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine?
3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 444.52 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 69079500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).