1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone

C18H18N4O — CID 5459373

IUPAC1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(NCC4CC4)nn23)c1
InChIInChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
InChIKeyIVUBNTNWKIPCPS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.42
Rot. Bonds5

About 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone

1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (PubChem CID 5459373) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
PubChem CID5459373
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(NCC4CC4)nn23)c1
InChIInChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
InChIKeyIVUBNTNWKIPCPS-UHFFFAOYSA-N
XLogP3.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (CID 5459373) is 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc3ccc(NCC4CC4)nn23)c1.
What is the InChIKey of 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The InChIKey is IVUBNTNWKIPCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21).
What are the key properties of 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 5459373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).