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

C15H11ClFN5O — CID 58147531

IUPAC(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol
SMILESCn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C15H11ClFN5O/c1-21-11-5-10(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
InChIKeyJPJHVDKPBQQMKE-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.49
Rot. Bonds2

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)methanol (PubChem CID 58147531) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol
PubChem CID58147531
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC Name(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol
SMILESCn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C15H11ClFN5O/c1-21-11-5-10(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
InChIKeyJPJHVDKPBQQMKE-UHFFFAOYSA-N
XLogP2.49
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol?
The IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol (CID 58147531) is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol.
What is the SMILES notation for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol?
The canonical SMILES for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol is 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?
The InChIKey is JPJHVDKPBQQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c1-21-11-5-10(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.
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)methanol has a molecular weight of 331.74 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 58147531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).