5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one

C28H30F3N7O2 — CID 146854296

IUPAC5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
SMILESCC(C(=O)N1CCN(C)CC1)n1cc(-c2cnn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)cn1
InChIInChI=1S/C28H30F3N7O2/c1-19(27(40)36-10-8-35(2)9-11-36)37-18-23(16-33-37)22-14-26-32-17-25(38(26)34-15-22)21-5-3-4-20(12-21)13-24(39)6-7-28(29,30)31/h3-5,12,14-19H,6-11,13H2,1-2H3
InChIKeySJGYWSAUURRKEP-UHFFFAOYSA-N
MW553.59 g/mol
LogP4.05
Rot. Bonds8

About 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one (PubChem CID 146854296) has the molecular formula C28H30F3N7O2 and a molecular weight of 553.59 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
PubChem CID146854296
Molecular FormulaC28H30F3N7O2
Molecular Weight553.59 g/mol
Exact Mass553.24
IUPAC Name5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
SMILESCC(C(=O)N1CCN(C)CC1)n1cc(-c2cnn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)cn1
InChIInChI=1S/C28H30F3N7O2/c1-19(27(40)36-10-8-35(2)9-11-36)37-18-23(16-33-37)22-14-26-32-17-25(38(26)34-15-22)21-5-3-4-20(12-21)13-24(39)6-7-28(29,30)31/h3-5,12,14-19H,6-11,13H2,1-2H3
InChIKeySJGYWSAUURRKEP-UHFFFAOYSA-N
XLogP4.05
TPSA88.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.59
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one with MolForge

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Related Compounds

Tizaterkib
CID 129116690
CID 11576569
CID 11576569
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
CID 153572417
6-(4-{(1S,2S)-2-Amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-YL]-3-oxopropyl}phenyl)-1H-[1,2,4]triazolo[1,5-A]pyridin-4-ium
CID 10320144
(2s,3s)-3-Amino-4-(3,3-Difluoropyrrolidin-1-Yl)-N,N-Dimethyl-4-Oxo-2-(Trans-4-[1,2,4]triazolo[1,5-A]pyridin-6-Ylcyclohexyl)butanamide
CID 11554165
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592
7-[2-(2-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455593
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58945732

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one (CID 146854296) is 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one is CC(C(=O)N1CCN(C)CC1)n1cc(-c2cnn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)cn1.
What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The InChIKey is SJGYWSAUURRKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N7O2/c1-19(27(40)36-10-8-35(2)9-11-36)37-18-23(16-33-37)22-14-26-32-17-25(38(26)34-15-22)21-5-3-4-20(12-21)13-24(39)6-7-28(29,30)31/h3-5,12,14-19H,6-11,13H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one has a molecular weight of 553.59 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[3-[7-[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 146854296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).