(5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone

C23H20FN5O2 — CID 66940937

IUPAC(5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone
SMILESCOc1ccc(CNc2ccc3ncc(C(=O)N4Cc5ccc(F)cc5C4)n3n2)cc1
InChIInChI=1S/C23H20FN5O2/c1-31-19-6-2-15(3-7-19)11-25-21-8-9-22-26-12-20(29(22)27-21)23(30)28-13-16-4-5-18(24)10-17(16)14-28/h2-10,12H,11,13-14H2,1H3,(H,25,27)
InChIKeyWUPLSIQAKBRDFF-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.65
Rot. Bonds5

About (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone

(5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone (PubChem CID 66940937) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone
PubChem CID66940937
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name(5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone
SMILESCOc1ccc(CNc2ccc3ncc(C(=O)N4Cc5ccc(F)cc5C4)n3n2)cc1
InChIInChI=1S/C23H20FN5O2/c1-31-19-6-2-15(3-7-19)11-25-21-8-9-22-26-12-20(29(22)27-21)23(30)28-13-16-4-5-18(24)10-17(16)14-28/h2-10,12H,11,13-14H2,1H3,(H,25,27)
InChIKeyWUPLSIQAKBRDFF-UHFFFAOYSA-N
XLogP3.65
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone?
The IUPAC name of (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone (CID 66940937) is (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone.
What is the SMILES notation for (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone?
The canonical SMILES for (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone is COc1ccc(CNc2ccc3ncc(C(=O)N4Cc5ccc(F)cc5C4)n3n2)cc1.
What is the InChIKey of (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone?
The InChIKey is WUPLSIQAKBRDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-31-19-6-2-15(3-7-19)11-25-21-8-9-22-26-12-20(29(22)27-21)23(30)28-13-16-4-5-18(24)10-17(16)14-28/h2-10,12H,11,13-14H2,1H3,(H,25,27).
What are the key properties of (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone?
(5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone has a molecular weight of 417.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1,3-dihydroisoindol-2-yl)-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]methanone is sourced from PubChem (CID 66940937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).