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

C18H17Cl2FN4O — CID 138973954

IUPAC[6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
SMILESCCN(C)Cc1cc(Cl)nn2c(C(=O)c3ccc(Cl)cc3F)c(C)nc12
InChIInChI=1S/C18H17Cl2FN4O/c1-4-24(3)9-11-7-15(20)23-25-16(10(2)22-18(11)25)17(26)13-6-5-12(19)8-14(13)21/h5-8H,4,9H2,1-3H3
InChIKeyMWFGLQPQWDHCNU-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.17
Rot. Bonds5

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

[6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone (PubChem CID 138973954) has the molecular formula C18H17Cl2FN4O and a molecular weight of 395.27 g/mol. Its IUPAC name is [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
PubChem CID138973954
Molecular FormulaC18H17Cl2FN4O
Molecular Weight395.27 g/mol
Exact Mass394.08
IUPAC Name[6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
SMILESCCN(C)Cc1cc(Cl)nn2c(C(=O)c3ccc(Cl)cc3F)c(C)nc12
InChIInChI=1S/C18H17Cl2FN4O/c1-4-24(3)9-11-7-15(20)23-25-16(10(2)22-18(11)25)17(26)13-6-5-12(19)8-14(13)21/h5-8H,4,9H2,1-3H3
InChIKeyMWFGLQPQWDHCNU-UHFFFAOYSA-N
XLogP4.17
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone (CID 138973954) is [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone is CCN(C)Cc1cc(Cl)nn2c(C(=O)c3ccc(Cl)cc3F)c(C)nc12.
What is the InChIKey of [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is MWFGLQPQWDHCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN4O/c1-4-24(3)9-11-7-15(20)23-25-16(10(2)22-18(11)25)17(26)13-6-5-12(19)8-14(13)21/h5-8H,4,9H2,1-3H3.
What are the key properties of [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
[6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 395.27 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-8-[[ethyl(methyl)amino]methyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 138973954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).