6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide

C24H26F4N6O2 — CID 11706115

IUPAC6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cn2nc(N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)ccc2n1
InChIInChI=1S/C24H26F4N6O2/c1-15(2)7-8-29-22(35)19-14-34-20(30-19)5-6-21(31-34)32-9-11-33(12-10-32)23(36)17-13-16(25)3-4-18(17)24(26,27)28/h3-6,13-15H,7-12H2,1-2H3,(H,29,35)
InChIKeyWFNHQQPAILHHHY-UHFFFAOYSA-N
MW506.50 g/mol
LogP3.63
Rot. Bonds6

About 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide

6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 11706115) has the molecular formula C24H26F4N6O2 and a molecular weight of 506.50 g/mol. Its IUPAC name is 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID11706115
Molecular FormulaC24H26F4N6O2
Molecular Weight506.50 g/mol
Exact Mass506.21
IUPAC Name6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cn2nc(N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)ccc2n1
InChIInChI=1S/C24H26F4N6O2/c1-15(2)7-8-29-22(35)19-14-34-20(30-19)5-6-21(31-34)32-9-11-33(12-10-32)23(36)17-13-16(25)3-4-18(17)24(26,27)28/h3-6,13-15H,7-12H2,1-2H3,(H,29,35)
InChIKeyWFNHQQPAILHHHY-UHFFFAOYSA-N
XLogP3.63
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide (CID 11706115) is 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide is CC(C)CCNC(=O)c1cn2nc(N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)ccc2n1.
What is the InChIKey of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is WFNHQQPAILHHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N6O2/c1-15(2)7-8-29-22(35)19-14-34-20(30-19)5-6-21(31-34)32-9-11-33(12-10-32)23(36)17-13-16(25)3-4-18(17)24(26,27)28/h3-6,13-15H,7-12H2,1-2H3,(H,29,35).
What are the key properties of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide?
6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 506.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 11706115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).