[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone

C23H27FN4O2 — CID 123520950

IUPAC[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)C)c3n2)C(C)(C)CO1
InChIInChI=1S/C23H27FN4O2/c1-14(2)18-10-19(16-6-8-17(24)9-7-16)26-28-12-20(25-21(18)28)22(29)27-11-15(3)30-13-23(27,4)5/h6-10,12,14-15H,11,13H2,1-5H3
InChIKeyKQPBODGCPMCCQL-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.30
Rot. Bonds3

About [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone

[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone (PubChem CID 123520950) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
PubChem CID123520950
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)C)c3n2)C(C)(C)CO1
InChIInChI=1S/C23H27FN4O2/c1-14(2)18-10-19(16-6-8-17(24)9-7-16)26-28-12-20(25-21(18)28)22(29)27-11-15(3)30-13-23(27,4)5/h6-10,12,14-15H,11,13H2,1-5H3
InChIKeyKQPBODGCPMCCQL-UHFFFAOYSA-N
XLogP4.30
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
GSK-3|A inhibitor 13
CID 134551592
4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470
6-[3-(2,2-Difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510927
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589
US10774086, Example 25
CID 134551606
US10774086, Example 18
CID 134551945
US10774086, Example 30
CID 134551973
US10774086, Example 26
CID 139465943
7-(Difluoromethyl)-5-(4-methylphenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1094006
4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 117977934

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The IUPAC name of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone (CID 123520950) is [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)C)c3n2)C(C)(C)CO1.
What is the InChIKey of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The InChIKey is KQPBODGCPMCCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-14(2)18-10-19(16-6-8-17(24)9-7-16)26-28-12-20(25-21(18)28)22(29)27-11-15(3)30-13-23(27,4)5/h6-10,12,14-15H,11,13H2,1-5H3.
What are the key properties of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone has a molecular weight of 410.49 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 123520950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).