1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone

C30H32FN5O3 — CID 123386689

IUPAC1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)C)c4n3)CC2C)cc1
InChIInChI=1S/C30H32FN5O3/c1-19(2)25-16-26(22-7-9-23(31)10-8-22)33-36-18-27(32-29(25)36)30(38)34-13-14-35(20(3)17-34)28(37)15-21-5-11-24(39-4)12-6-21/h5-12,16,18-20H,13-15,17H2,1-4H3
InChIKeyGLJFJGLREUNMKR-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.58
Rot. Bonds6

About 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 123386689) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID123386689
Molecular FormulaC30H32FN5O3
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC Name1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)C)c4n3)CC2C)cc1
InChIInChI=1S/C30H32FN5O3/c1-19(2)25-16-26(22-7-9-23(31)10-8-22)33-36-18-27(32-29(25)36)30(38)34-13-14-35(20(3)17-34)28(37)15-21-5-11-24(39-4)12-6-21/h5-12,16,18-20H,13-15,17H2,1-4H3
InChIKeyGLJFJGLREUNMKR-UHFFFAOYSA-N
XLogP4.58
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]pent-4-yn-1-one
CID 123689783
1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
CID 122646576
[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone
CID 123958356
2,2-dimethylpropyl 4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 123231964
(2R)-2-cyclohexyl-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxyethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-3-phenylpropan-1-one;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone
CID 159813339
4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbaldehyde
CID 144817343
azane;(2,2-dimethylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 159591685
tert-butyl (3S)-4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3-methylpiperazine-1-carboxylate
CID 134296550
tert-butyl (2S)-4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 134296926
(2R)-1-[(2S)-4-[5-(4-fluorophenyl)-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;5-(4-fluorophenyl)-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid;phosphane
CID 161253923
4,4,4-trifluoro-1-[(2S)-4-(4-methoxybenzoyl)-2-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 167929692
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 123386689) is 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)C)c4n3)CC2C)cc1.
What is the InChIKey of 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is GLJFJGLREUNMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O3/c1-19(2)25-16-26(22-7-9-23(31)10-8-22)33-36-18-27(32-29(25)36)30(38)34-13-14-35(20(3)17-34)28(37)15-21-5-11-24(39-4)12-6-21/h5-12,16,18-20H,13-15,17H2,1-4H3.
What are the key properties of 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 529.62 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 123386689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).