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

C15H11Cl2FN4O — CID 86642486

IUPAC[8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
SMILESCc1nc2c(CN)cc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H11Cl2FN4O/c1-7-13(14(23)10-3-2-9(16)5-11(10)18)22-15(20-7)8(6-19)4-12(17)21-22/h2-5H,6,19H2,1H3
InChIKeyBVMQMWQPSXROEQ-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.17
Rot. Bonds3

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

[8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone (PubChem CID 86642486) has the molecular formula C15H11Cl2FN4O and a molecular weight of 353.18 g/mol. Its IUPAC name is [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
PubChem CID86642486
Molecular FormulaC15H11Cl2FN4O
Molecular Weight353.18 g/mol
Exact Mass352.03
IUPAC Name[8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
SMILESCc1nc2c(CN)cc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H11Cl2FN4O/c1-7-13(14(23)10-3-2-9(16)5-11(10)18)22-15(20-7)8(6-19)4-12(17)21-22/h2-5H,6,19H2,1H3
InChIKeyBVMQMWQPSXROEQ-UHFFFAOYSA-N
XLogP3.17
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone (CID 86642486) is [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone is Cc1nc2c(CN)cc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is BVMQMWQPSXROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN4O/c1-7-13(14(23)10-3-2-9(16)5-11(10)18)22-15(20-7)8(6-19)4-12(17)21-22/h2-5H,6,19H2,1H3.
What are the key properties of [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone?
[8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 353.18 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(aminomethyl)-6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 86642486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).