2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol

C22H23FN6O — CID 71585495

IUPAC2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C22H23FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-5,10,13-15,19,30H,6-9,11-12H2
InChIKeyUYFNGEZEGDJGRS-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.27
Rot. Bonds5

About 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol

2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 71585495) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol
PubChem CID71585495
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C22H23FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-5,10,13-15,19,30H,6-9,11-12H2
InChIKeyUYFNGEZEGDJGRS-UHFFFAOYSA-N
XLogP3.27
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol (CID 71585495) is 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1.
What is the InChIKey of 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is UYFNGEZEGDJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-5,10,13-15,19,30H,6-9,11-12H2.
What are the key properties of 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 406.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 71585495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).