1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole

C22H23FN6 — CID 71585398

IUPAC1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole
SMILESCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C22H23FN6/c1-2-28-15-17(14-24-28)20-5-6-22(26-25-20)27-10-8-19(9-11-27)29-12-7-16-3-4-18(23)13-21(16)29/h3-7,12-15,19H,2,8-11H2,1H3
InChIKeySPUPJGKXSWONJV-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.30
Rot. Bonds4

About 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole

1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole (PubChem CID 71585398) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole.

Molecular Properties

Compound Name1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole
PubChem CID71585398
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole
SMILESCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C22H23FN6/c1-2-28-15-17(14-24-28)20-5-6-22(26-25-20)27-10-8-19(9-11-27)29-12-7-16-3-4-18(23)13-21(16)29/h3-7,12-15,19H,2,8-11H2,1H3
InChIKeySPUPJGKXSWONJV-UHFFFAOYSA-N
XLogP4.30
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole?
The IUPAC name of 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole (CID 71585398) is 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole.
What is the SMILES notation for 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole?
The canonical SMILES for 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole is CCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1.
What is the InChIKey of 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole?
The InChIKey is SPUPJGKXSWONJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-2-28-15-17(14-24-28)20-5-6-22(26-25-20)27-10-8-19(9-11-27)29-12-7-16-3-4-18(23)13-21(16)29/h3-7,12-15,19H,2,8-11H2,1H3.
What are the key properties of 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole?
1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole has a molecular weight of 390.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole is sourced from PubChem (CID 71585398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).