N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide

C23H25F3N6O2 — CID 11569094

IUPACN-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCCCNC(=O)c1cn2nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc2n1
InChIInChI=1S/C23H25F3N6O2/c1-2-3-10-27-21(33)18-15-32-19(28-18)8-9-20(29-32)30-11-13-31(14-12-30)22(34)16-6-4-5-7-17(16)23(24,25)26/h4-9,15H,2-3,10-14H2,1H3,(H,27,33)
InChIKeyPNZGVLGEHITJJU-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.24
Rot. Bonds6

About N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide

N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 11569094) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID11569094
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC NameN-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCCCNC(=O)c1cn2nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc2n1
InChIInChI=1S/C23H25F3N6O2/c1-2-3-10-27-21(33)18-15-32-19(28-18)8-9-20(29-32)30-11-13-31(14-12-30)22(34)16-6-4-5-7-17(16)23(24,25)26/h4-9,15H,2-3,10-14H2,1H3,(H,27,33)
InChIKeyPNZGVLGEHITJJU-UHFFFAOYSA-N
XLogP3.24
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 11569094) is N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide is CCCCNC(=O)c1cn2nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc2n1.
What is the InChIKey of N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is PNZGVLGEHITJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-2-3-10-27-21(33)18-15-32-19(28-18)8-9-20(29-32)30-11-13-31(14-12-30)22(34)16-6-4-5-7-17(16)23(24,25)26/h4-9,15H,2-3,10-14H2,1H3,(H,27,33).
What are the key properties of N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide?
N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 11569094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).