1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine

C20H13ClF2N6O — CID 170553733

IUPAC1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(-c3cnc4cccnn34)ncc12
InChIInChI=1S/C20H13ClF2N6O/c1-11-13-9-24-14(17-10-25-19-3-2-6-26-29(17)19)8-15(13)28(27-11)16-7-12(21)4-5-18(16)30-20(22)23/h2-10,20H,1H3
InChIKeyHHUBOSCHEOFIJJ-UHFFFAOYSA-N
MW426.81 g/mol
LogP4.69
Rot. Bonds4

About 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine

1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine (PubChem CID 170553733) has the molecular formula C20H13ClF2N6O and a molecular weight of 426.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine
PubChem CID170553733
Molecular FormulaC20H13ClF2N6O
Molecular Weight426.81 g/mol
Exact Mass426.08
IUPAC Name1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(-c3cnc4cccnn34)ncc12
InChIInChI=1S/C20H13ClF2N6O/c1-11-13-9-24-14(17-10-25-19-3-2-6-26-29(17)19)8-15(13)28(27-11)16-7-12(21)4-5-18(16)30-20(22)23/h2-10,20H,1H3
InChIKeyHHUBOSCHEOFIJJ-UHFFFAOYSA-N
XLogP4.69
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.81
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine 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 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine (CID 170553733) is 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine is Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(-c3cnc4cccnn34)ncc12.
What is the InChIKey of 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine?
The InChIKey is HHUBOSCHEOFIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N6O/c1-11-13-9-24-14(17-10-25-19-3-2-6-26-29(17)19)8-15(13)28(27-11)16-7-12(21)4-5-18(16)30-20(22)23/h2-10,20H,1H3.
What are the key properties of 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine?
1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine has a molecular weight of 426.81 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(difluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazin-3-yl-3-methylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170553733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).