1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone

C31H22Cl2F2N10O2 — CID 131731819

IUPAC1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone
SMILESCn1ncc2cc(C(=O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C16H13ClFN5O.C15H9ClFN5O/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;1-21-11-5-10(17)9(4-8(11)6-19-21)15(23)12-7-18-14-3-2-13(16)20-22(12)14/h3-8,24H,1-2H3;2-7H,1H3
InChIKeyBPEGVEVKWDTDDT-UHFFFAOYSA-N
MW675.49 g/mol
LogP5.30
Rot. Bonds4

About 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone

1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone (PubChem CID 131731819) has the molecular formula C31H22Cl2F2N10O2 and a molecular weight of 675.49 g/mol. Its IUPAC name is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone.

Molecular Properties

Compound Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone
PubChem CID131731819
Molecular FormulaC31H22Cl2F2N10O2
Molecular Weight675.49 g/mol
Exact Mass674.13
IUPAC Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone
SMILESCn1ncc2cc(C(=O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C16H13ClFN5O.C15H9ClFN5O/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;1-21-11-5-10(17)9(4-8(11)6-19-21)15(23)12-7-18-14-3-2-13(16)20-22(12)14/h3-8,24H,1-2H3;2-7H,1H3
InChIKeyBPEGVEVKWDTDDT-UHFFFAOYSA-N
XLogP5.30
TPSA133.32 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500675.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone with MolForge

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Related Compounds

1-(3-(1-(7-Fluoroquinolin-6-yl)-1-hydroxyethyl)imidazo[1,2-b]pyridazin-6-yl)ethanone
CID 66927034
(Rac)-1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-yl-ethanol (6-chloro-imidazo[1,2-b]pyridazin-3-yl)-quinolin-6-yl-methanone
CID 131731817
2-[[4-[2-[(4-chloro-2-fluorophenyl)methyl]indazol-7-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 163996200
2-[[4-[2-[(4-Chloro-2-fluorophenyl)methyl]indazol-7-yl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid
CID 167388831
4-[2-[[4-[3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]benzoic acid
CID 157675857
5-(3-Chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide
CID 23388970
5-(3-Chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate
CID 23388971
5-(3-Chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid
CID 23388972
1-[(2,6-Dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 91329280
(Rac)-6-chloro-3-[1-(6-fluoro-1-methyl-1h-indazol-5-yl)-ethyl]-imidazo[1,2-b]pyridazine (rac)-1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methyl-1h-indazol-5-yl)-ethanol
CID 131731818
(6-Chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1H-indazol-5-yl)-methanone (rac)-(6-Chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1H-indazol-5-yl)-methanol
CID 131731820
(6-Chloroimidazo[1,2-b]pyridazin-3-yl)-deuterio-quinolin-6-ylmethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone
CID 157772455

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone?
The IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone (CID 131731819) is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone.
What is the SMILES notation for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone?
The canonical SMILES for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone is Cn1ncc2cc(C(=O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21.
What is the InChIKey of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone?
The InChIKey is BPEGVEVKWDTDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O.C15H9ClFN5O/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;1-21-11-5-10(17)9(4-8(11)6-19-21)15(23)12-7-18-14-3-2-13(16)20-22(12)14/h3-8,24H,1-2H3;2-7H,1H3.
What are the key properties of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone?
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone has a molecular weight of 675.49 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone is sourced from PubChem (CID 131731819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).