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

C21H21FN6O — CID 121224988

IUPAC[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol
SMILESOCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C21H21FN6O/c22-17-2-1-15-5-10-28(20(15)11-17)18-6-8-26(9-7-18)21-4-3-19(24-25-21)16-12-23-27(13-16)14-29/h1-5,10-13,18,29H,6-9,14H2
InChIKeyJTRJQCPMULXBIC-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.23
Rot. Bonds4

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

[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol (PubChem CID 121224988) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol.

Molecular Properties

Compound Name[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol
PubChem CID121224988
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol
SMILESOCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C21H21FN6O/c22-17-2-1-15-5-10-28(20(15)11-17)18-6-8-26(9-7-18)21-4-3-19(24-25-21)16-12-23-27(13-16)14-29/h1-5,10-13,18,29H,6-9,14H2
InChIKeyJTRJQCPMULXBIC-UHFFFAOYSA-N
XLogP3.23
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol?
The IUPAC name of [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol (CID 121224988) is [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol.
What is the SMILES notation for [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol?
The canonical SMILES for [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol is OCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1.
What is the InChIKey of [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol?
The InChIKey is JTRJQCPMULXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-17-2-1-15-5-10-28(20(15)11-17)18-6-8-26(9-7-18)21-4-3-19(24-25-21)16-12-23-27(13-16)14-29/h1-5,10-13,18,29H,6-9,14H2.
What are the key properties of [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol?
[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol has a molecular weight of 392.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]methanol is sourced from PubChem (CID 121224988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).