[6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone

C15H8Cl2F3N3O — CID 138966665

IUPAC[6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
SMILESCc1nc2c(C(F)F)cc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H8Cl2F3N3O/c1-6-12(13(24)8-3-2-7(16)4-10(8)18)23-15(21-6)9(14(19)20)5-11(17)22-23/h2-5,14H,1H3
InChIKeyWCTDLBUKZNUNDT-UHFFFAOYSA-N
MW374.15 g/mol
LogP4.65
Rot. Bonds3

About [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone

[6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone (PubChem CID 138966665) has the molecular formula C15H8Cl2F3N3O and a molecular weight of 374.15 g/mol. Its IUPAC name is [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
PubChem CID138966665
Molecular FormulaC15H8Cl2F3N3O
Molecular Weight374.15 g/mol
Exact Mass373.00
IUPAC Name[6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
SMILESCc1nc2c(C(F)F)cc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H8Cl2F3N3O/c1-6-12(13(24)8-3-2-7(16)4-10(8)18)23-15(21-6)9(14(19)20)5-11(17)22-23/h2-5,14H,1H3
InChIKeyWCTDLBUKZNUNDT-UHFFFAOYSA-N
XLogP4.65
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.15
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone (CID 138966665) is [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone is Cc1nc2c(C(F)F)cc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is WCTDLBUKZNUNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3N3O/c1-6-12(13(24)8-3-2-7(16)4-10(8)18)23-15(21-6)9(14(19)20)5-11(17)22-23/h2-5,14H,1H3.
What are the key properties of [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
[6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 374.15 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 138966665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).