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

C21H24FN5O — CID 123958356

IUPAC[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNCC3C)nc12
InChIInChI=1S/C21H24FN5O/c1-13(2)17-10-18(15-4-6-16(22)7-5-15)25-27-12-19(24-20(17)27)21(28)26-9-8-23-11-14(26)3/h4-7,10,12-14,23H,8-9,11H2,1-3H3
InChIKeyYOMFAIYYDYWUKS-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.09
Rot. Bonds3

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

[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone (PubChem CID 123958356) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone
PubChem CID123958356
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNCC3C)nc12
InChIInChI=1S/C21H24FN5O/c1-13(2)17-10-18(15-4-6-16(22)7-5-15)25-27-12-19(24-20(17)27)21(28)26-9-8-23-11-14(26)3/h4-7,10,12-14,23H,8-9,11H2,1-3H3
InChIKeyYOMFAIYYDYWUKS-UHFFFAOYSA-N
XLogP3.09
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
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
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119470971
[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 170984602
[1-(4-fluorophenyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 167776575
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
[1-(3-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-(2-methylpiperazin-1-yl)methanone
CID 119471308
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone (CID 123958356) is [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone is CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNCC3C)nc12.
What is the InChIKey of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone?
The InChIKey is YOMFAIYYDYWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-13(2)17-10-18(15-4-6-16(22)7-5-15)25-27-12-19(24-20(17)27)21(28)26-9-8-23-11-14(26)3/h4-7,10,12-14,23H,8-9,11H2,1-3H3.
What are the key properties of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone?
[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2-methylpiperazin-1-yl)methanone has a molecular weight of 381.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 123958356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).