1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone

C23H25F2N7O2 — CID 155770111

IUPAC1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cn2)CC1
InChIInChI=1S/C23H25F2N7O2/c1-16(33)31-8-10-32(11-9-31)21-6-3-17(13-28-21)12-27-20-5-7-22(30-29-20)34-15-18-2-4-19(23(24)25)26-14-18/h2-7,13-14,23H,8-12,15H2,1H3,(H,27,29)
InChIKeyBEBCWIGTKKMWDL-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.06
Rot. Bonds8

About 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 155770111) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID155770111
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cn2)CC1
InChIInChI=1S/C23H25F2N7O2/c1-16(33)31-8-10-32(11-9-31)21-6-3-17(13-28-21)12-27-20-5-7-22(30-29-20)34-15-18-2-4-19(23(24)25)26-14-18/h2-7,13-14,23H,8-12,15H2,1H3,(H,27,29)
InChIKeyBEBCWIGTKKMWDL-UHFFFAOYSA-N
XLogP3.06
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 155770111) is 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cn2)CC1.
What is the InChIKey of 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is BEBCWIGTKKMWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-16(33)31-8-10-32(11-9-31)21-6-3-17(13-28-21)12-27-20-5-7-22(30-29-20)34-15-18-2-4-19(23(24)25)26-14-18/h2-7,13-14,23H,8-12,15H2,1H3,(H,27,29).
What are the key properties of 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 469.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[[[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155770111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).