2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone

C25H33FN6O2 — CID 122337007

IUPAC2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(c2ccc(N3CCN(CC4CCCO4)CC3)nn2)CC1
InChIInChI=1S/C25H33FN6O2/c26-22-6-2-1-4-20(22)18-25(33)32-15-13-31(14-16-32)24-8-7-23(27-28-24)30-11-9-29(10-12-30)19-21-5-3-17-34-21/h1-2,4,6-8,21H,3,5,9-19H2
InChIKeySOHVMJBQHDULEZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP1.81
Rot. Bonds6

About 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122337007) has the molecular formula C25H33FN6O2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID122337007
Molecular FormulaC25H33FN6O2
Molecular Weight468.58 g/mol
Exact Mass468.26
IUPAC Name2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(c2ccc(N3CCN(CC4CCCO4)CC3)nn2)CC1
InChIInChI=1S/C25H33FN6O2/c26-22-6-2-1-4-20(22)18-25(33)32-15-13-31(14-16-32)24-8-7-23(27-28-24)30-11-9-29(10-12-30)19-21-5-3-17-34-21/h1-2,4,6-8,21H,3,5,9-19H2
InChIKeySOHVMJBQHDULEZ-UHFFFAOYSA-N
XLogP1.81
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122337007) is 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCN(c2ccc(N3CCN(CC4CCCO4)CC3)nn2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is SOHVMJBQHDULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O2/c26-22-6-2-1-4-20(22)18-25(33)32-15-13-31(14-16-32)24-8-7-23(27-28-24)30-11-9-29(10-12-30)19-21-5-3-17-34-21/h1-2,4,6-8,21H,3,5,9-19H2.
What are the key properties of 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 468.58 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122337007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).