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

C30H20Cl2F2N10O2 — CID 131731820

IUPAC(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(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(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C15H11ClFN5O.C15H9ClFN5O/c2*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/h2-7,15,23H,1H3;2-7H,1H3
InChIKeyNBIZENCDHFXFEV-UHFFFAOYSA-N
MW661.46 g/mol
LogP5.13
Rot. Bonds4

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

(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone (PubChem CID 131731820) has the molecular formula C30H20Cl2F2N10O2 and a molecular weight of 661.46 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone
PubChem CID131731820
Molecular FormulaC30H20Cl2F2N10O2
Molecular Weight661.46 g/mol
Exact Mass660.11
IUPAC Name(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(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(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C15H11ClFN5O.C15H9ClFN5O/c2*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/h2-7,15,23H,1H3;2-7H,1H3
InChIKeyNBIZENCDHFXFEV-UHFFFAOYSA-N
XLogP5.13
TPSA133.32 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500661.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(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-((5,7-Difluoroquinolin-6-yl)(hydroxy)methyl)imidazo[1,2-b]pyridazin-6-yl)ethanone
CID 58190570
(6-Chloroimidazo[1,2-b]pyridazin-3-yl)(4,6-difluoro-1-methyl-1H-indazol-5-yl)methanol
CID 58190595
1-(3-((7-Fluoroquinolin-6-yl)(hydroxy)methyl)imidazo[1,2-b]pyridazin-6-yl)ethanone
CID 66927089
(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
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
(Rac)-1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methyl-1h-indazol-5-yl)-ethanol (6-chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1h-indazol-5-yl)-methanone
CID 131731819
(4-Chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone
CID 157329350
(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
(3-Benzylimidazol-4-yl)-(2-methyl-4-phenylquinazolin-6-yl)methanone;(3-benzylimidazol-4-yl)-(5-phenyltetrazolo[1,5-a]quinazolin-7-yl)methanol;ethane;iodomethane
CID 158420390

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone?
The IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone (CID 131731820) is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone?
The canonical SMILES for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(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(O)c3cnc4ccc(Cl)nn34)c(F)cc21.
What is the InChIKey of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone?
The InChIKey is NBIZENCDHFXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O.C15H9ClFN5O/c2*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/h2-7,15,23H,1H3;2-7H,1H3.
What are the key properties of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone?
(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone has a molecular weight of 661.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone is sourced from PubChem (CID 131731820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).