5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one

C26H25F3N6O — CID 146699635

IUPAC5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)nc4)cnn23)c1
InChIInChI=1S/C26H25F3N6O/c27-26(28,29)7-6-22(36)13-18-2-1-3-19(12-18)23-17-32-25-14-21(16-33-35(23)25)20-4-5-24(31-15-20)34-10-8-30-9-11-34/h1-5,12,14-17,30H,6-11,13H2
InChIKeyQSXOPUXSSVGABR-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.32
Rot. Bonds7

About 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one (PubChem CID 146699635) has the molecular formula C26H25F3N6O and a molecular weight of 494.52 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
PubChem CID146699635
Molecular FormulaC26H25F3N6O
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)nc4)cnn23)c1
InChIInChI=1S/C26H25F3N6O/c27-26(28,29)7-6-22(36)13-18-2-1-3-19(12-18)23-17-32-25-14-21(16-33-35(23)25)20-4-5-24(31-15-20)34-10-8-30-9-11-34/h1-5,12,14-17,30H,6-11,13H2
InChIKeyQSXOPUXSSVGABR-UHFFFAOYSA-N
XLogP4.32
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl)-
CID 24826880
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
Imidazopyridazin 1
CID 5459373
3-(2-(Cyclopropanecarboxamido)imidazo[1,2-b]pyridazin-6-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-4-methylbenzamide
CID 153583901
N-{4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methylbenzamide
CID 46837380
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70981821
N-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007226
US10774086, Example 7
CID 134551551
US10774086, Example 9
CID 134551591
US10774086, Example 12
CID 134551927

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one (CID 146699635) is 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one is O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)nc4)cnn23)c1.
What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The InChIKey is QSXOPUXSSVGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O/c27-26(28,29)7-6-22(36)13-18-2-1-3-19(12-18)23-17-32-25-14-21(16-33-35(23)25)20-4-5-24(31-15-20)34-10-8-30-9-11-34/h1-5,12,14-17,30H,6-11,13H2.
What are the key properties of 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one has a molecular weight of 494.52 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 146699635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).