2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide

C18H19F6N7O2 — CID 167442815

IUPAC2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1cc(C(F)(F)F)c(=O)[nH]n1)NCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H19F6N7O2/c19-17(20,21)11-9-26-16(27-10-11)31-5-3-30(4-6-31)2-1-25-14(32)8-12-7-13(18(22,23)24)15(33)29-28-12/h7,9-10H,1-6,8H2,(H,25,32)(H,29,33)
InChIKeyKYXHAHQYXDRALT-UHFFFAOYSA-N
MW479.39 g/mol
LogP1.08
Rot. Bonds6

About 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide

2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide (PubChem CID 167442815) has the molecular formula C18H19F6N7O2 and a molecular weight of 479.39 g/mol. Its IUPAC name is 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide
PubChem CID167442815
Molecular FormulaC18H19F6N7O2
Molecular Weight479.39 g/mol
Exact Mass479.15
IUPAC Name2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1cc(C(F)(F)F)c(=O)[nH]n1)NCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H19F6N7O2/c19-17(20,21)11-9-26-16(27-10-11)31-5-3-30(4-6-31)2-1-25-14(32)8-12-7-13(18(22,23)24)15(33)29-28-12/h7,9-10H,1-6,8H2,(H,25,32)(H,29,33)
InChIKeyKYXHAHQYXDRALT-UHFFFAOYSA-N
XLogP1.08
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide 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 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide (CID 167442815) is 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide is O=C(Cc1cc(C(F)(F)F)c(=O)[nH]n1)NCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is KYXHAHQYXDRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F6N7O2/c19-17(20,21)11-9-26-16(27-10-11)31-5-3-30(4-6-31)2-1-25-14(32)8-12-7-13(18(22,23)24)15(33)29-28-12/h7,9-10H,1-6,8H2,(H,25,32)(H,29,33).
What are the key properties of 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide?
2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 479.39 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]-N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167442815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).