6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole

C21H23FN6 — CID 71571569

IUPAC6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
SMILESCn1cc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C21H23FN6/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/h2-5,12-14,18H,6-11H2,1H3
InChIKeyKNULJCSPCKMYTN-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.05
Rot. Bonds3

About 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole

6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole (PubChem CID 71571569) has the molecular formula C21H23FN6 and a molecular weight of 378.46 g/mol. Its IUPAC name is 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
PubChem CID71571569
Molecular FormulaC21H23FN6
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC Name6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
SMILESCn1cc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C21H23FN6/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/h2-5,12-14,18H,6-11H2,1H3
InChIKeyKNULJCSPCKMYTN-UHFFFAOYSA-N
XLogP3.05
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.05
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]-2,3-dihydroindole?
The IUPAC name of 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole (CID 71571569) is 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole 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]-2,3-dihydroindole?
The InChIKey is KNULJCSPCKMYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6/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/h2-5,12-14,18H,6-11H2,1H3.
What are the key properties of 6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
6-fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole has a molecular weight of 378.46 g/mol, XLogP of 3.05, 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]-2,3-dihydroindole is sourced from PubChem (CID 71571569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).