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

C21H21FN6 — CID 121224996

IUPAC4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCn1cc(-c2ccc(N3CCC(n4ccc5c(F)cccc54)CC3)nn2)cn1
InChIInChI=1S/C21H21FN6/c1-26-14-15(13-23-26)19-5-6-21(25-24-19)27-10-7-16(8-11-27)28-12-9-17-18(22)3-2-4-20(17)28/h2-6,9,12-14,16H,7-8,10-11H2,1H3
InChIKeyHBMLQKCIZBUCIU-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.81
Rot. Bonds3

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

4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (PubChem CID 121224996) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.

Molecular Properties

Compound Name4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
PubChem CID121224996
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCn1cc(-c2ccc(N3CCC(n4ccc5c(F)cccc54)CC3)nn2)cn1
InChIInChI=1S/C21H21FN6/c1-26-14-15(13-23-26)19-5-6-21(25-24-19)27-10-7-16(8-11-27)28-12-9-17-18(22)3-2-4-20(17)28/h2-6,9,12-14,16H,7-8,10-11H2,1H3
InChIKeyHBMLQKCIZBUCIU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The IUPAC name of 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (CID 121224996) is 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.
What is the SMILES notation for 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The canonical SMILES for 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is Cn1cc(-c2ccc(N3CCC(n4ccc5c(F)cccc54)CC3)nn2)cn1.
What is the InChIKey of 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The InChIKey is HBMLQKCIZBUCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-26-14-15(13-23-26)19-5-6-21(25-24-19)27-10-7-16(8-11-27)28-12-9-17-18(22)3-2-4-20(17)28/h2-6,9,12-14,16H,7-8,10-11H2,1H3.
What are the key properties of 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
4-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 4-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is sourced from PubChem (CID 121224996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).