1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one

C16H12ClN5O — CID 161233532

IUPAC1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one
SMILESNCC1=NCC(=O)c2ccc(-c3cnc4ccc(Cl)nn34)cc21
InChIInChI=1S/C16H12ClN5O/c17-15-3-4-16-20-7-13(22(16)21-15)9-1-2-10-11(5-9)12(6-18)19-8-14(10)23/h1-5,7H,6,8,18H2
InChIKeyFUFRSGFMLBMTEU-UHFFFAOYSA-N
MW325.76 g/mol
LogP1.99
Rot. Bonds2

About 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one

1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one (PubChem CID 161233532) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one.

Molecular Properties

Compound Name1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one
PubChem CID161233532
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one
SMILESNCC1=NCC(=O)c2ccc(-c3cnc4ccc(Cl)nn34)cc21
InChIInChI=1S/C16H12ClN5O/c17-15-3-4-16-20-7-13(22(16)21-15)9-1-2-10-11(5-9)12(6-18)19-8-14(10)23/h1-5,7H,6,8,18H2
InChIKeyFUFRSGFMLBMTEU-UHFFFAOYSA-N
XLogP1.99
TPSA85.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one?
The IUPAC name of 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one (CID 161233532) is 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one.
What is the SMILES notation for 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one?
The canonical SMILES for 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one is NCC1=NCC(=O)c2ccc(-c3cnc4ccc(Cl)nn34)cc21.
What is the InChIKey of 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one?
The InChIKey is FUFRSGFMLBMTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c17-15-3-4-16-20-7-13(22(16)21-15)9-1-2-10-11(5-9)12(6-18)19-8-14(10)23/h1-5,7H,6,8,18H2.
What are the key properties of 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one?
1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one has a molecular weight of 325.76 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one is sourced from PubChem (CID 161233532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).