6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

C21H21FN6 — CID 71585295

IUPAC6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C21H21FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-6,11-14,18H,7-10H2,1H3
InChIKeyYJKHGJGDWHXZBG-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.81
Rot. Bonds3

About 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (PubChem CID 71585295) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.

Molecular Properties

Compound Name6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
PubChem CID71585295
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C21H21FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-6,11-14,18H,7-10H2,1H3
InChIKeyYJKHGJGDWHXZBG-UHFFFAOYSA-N
XLogP3.81
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The IUPAC name of 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (CID 71585295) is 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.
What is the SMILES notation for 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The canonical SMILES for 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is Cn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1.
What is the InChIKey of 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The InChIKey is YJKHGJGDWHXZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-6,11-14,18H,7-10H2,1H3.
What are the key properties of 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole has a molecular weight of 376.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is sourced from PubChem (CID 71585295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).