6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine

C19H21ClFN5 — CID 89494185

IUPAC6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine
SMILESC[C@@H]1CN(c2ccc(-c3cnc4ccc(Cl)nn34)cc2F)C[C@H](C)N1C
InChIInChI=1S/C19H21ClFN5/c1-12-10-25(11-13(2)24(12)3)16-5-4-14(8-15(16)21)17-9-22-19-7-6-18(20)23-26(17)19/h4-9,12-13H,10-11H2,1-3H3/t12-,13+
InChIKeyDVVSGQLQHCQCOA-BETUJISGSA-N
MW373.86 g/mol
LogP3.72
Rot. Bonds2

About 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine

6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine (PubChem CID 89494185) has the molecular formula C19H21ClFN5 and a molecular weight of 373.86 g/mol. Its IUPAC name is 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine
PubChem CID89494185
Molecular FormulaC19H21ClFN5
Molecular Weight373.86 g/mol
Exact Mass373.15
IUPAC Name6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine
SMILESC[C@@H]1CN(c2ccc(-c3cnc4ccc(Cl)nn34)cc2F)C[C@H](C)N1C
InChIInChI=1S/C19H21ClFN5/c1-12-10-25(11-13(2)24(12)3)16-5-4-14(8-15(16)21)17-9-22-19-7-6-18(20)23-26(17)19/h4-9,12-13H,10-11H2,1-3H3/t12-,13+
InChIKeyDVVSGQLQHCQCOA-BETUJISGSA-N
XLogP3.72
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 89494382
6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494263
4-[4-(chloromethyl)-2-fluorophenyl]-1,2,6-trimethylpiperazine
CID 114538487
5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile
CID 89494007
6-chloro-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazine
CID 58857859
3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 169237116
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline
CID 58857683
3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine
CID 139358187
3-(1-benzofuran-6-yl)-6-chloroimidazo[1,2-b]pyridazine
CID 168873690
(5Z)-5-[[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 86279245
6-chloro-3-(5-methylthiophen-2-yl)imidazo[1,2-b]pyridazine
CID 144699039
5-chloro-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543007

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine (CID 89494185) is 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine is C[C@@H]1CN(c2ccc(-c3cnc4ccc(Cl)nn34)cc2F)C[C@H](C)N1C.
What is the InChIKey of 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is DVVSGQLQHCQCOA-BETUJISGSA-N. The full InChI is InChI=1S/C19H21ClFN5/c1-12-10-25(11-13(2)24(12)3)16-5-4-14(8-15(16)21)17-9-22-19-7-6-18(20)23-26(17)19/h4-9,12-13H,10-11H2,1-3H3/t12-,13+.
What are the key properties of 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine?
6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 373.86 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 89494185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).