N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide

C22H22F3N7O2 — CID 25191212

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C22H22F3N7O2/c23-22(24,25)17-4-2-1-3-16(17)21(34)32-11-9-31(10-12-32)19-6-5-18(29-30-19)20(33)27-8-7-15-13-26-14-28-15/h1-6,13-14H,7-12H2,(H,26,28)(H,27,33)
InChIKeyXWOFEKRKUIFGQQ-UHFFFAOYSA-N
MW473.46 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 25191212) has the molecular formula C22H22F3N7O2 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID25191212
Molecular FormulaC22H22F3N7O2
Molecular Weight473.46 g/mol
Exact Mass473.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C22H22F3N7O2/c23-22(24,25)17-4-2-1-3-16(17)21(34)32-11-9-31(10-12-32)19-6-5-18(29-30-19)20(33)27-8-7-15-13-26-14-28-15/h1-6,13-14H,7-12H2,(H,26,28)(H,27,33)
InChIKeyXWOFEKRKUIFGQQ-UHFFFAOYSA-N
XLogP2.15
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide 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 N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide (CID 25191212) is N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide is O=C(NCCc1cnc[nH]1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is XWOFEKRKUIFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O2/c23-22(24,25)17-4-2-1-3-16(17)21(34)32-11-9-31(10-12-32)19-6-5-18(29-30-19)20(33)27-8-7-15-13-26-14-28-15/h1-6,13-14H,7-12H2,(H,26,28)(H,27,33).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 25191212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).