4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate

C24H32F2N5O3- — CID 154069586

IUPAC4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C(=O)[O-])CC3(C)C)nc12
InChIInChI=1S/C24H33F2N5O3/c1-22(2,3)16-12-17(15-6-8-24(25,26)9-7-15)28-31-13-18(27-19(16)31)20(32)30-11-10-29(21(33)34)14-23(30,4)5/h12-13,15H,6-11,14H2,1-5H3,(H,33,34)/p-1
InChIKeyZEFXVLYITVKUPV-UHFFFAOYSA-M
MW476.55 g/mol
LogP3.20
Rot. Bonds2

About 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate

4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate (PubChem CID 154069586) has the molecular formula C24H32F2N5O3- and a molecular weight of 476.55 g/mol. Its IUPAC name is 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate
PubChem CID154069586
Molecular FormulaC24H32F2N5O3-
Molecular Weight476.55 g/mol
Exact Mass476.25
IUPAC Name4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C(=O)[O-])CC3(C)C)nc12
InChIInChI=1S/C24H33F2N5O3/c1-22(2,3)16-12-17(15-6-8-24(25,26)9-7-15)28-31-13-18(27-19(16)31)20(32)30-11-10-29(21(33)34)14-23(30,4)5/h12-13,15H,6-11,14H2,1-5H3,(H,33,34)/p-1
InChIKeyZEFXVLYITVKUPV-UHFFFAOYSA-M
XLogP3.20
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate with MolForge

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Related Compounds

[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-cyclobutylmethanone
CID 144817724
methyl 4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-1-carboxylate
CID 155355533
1-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 134296651
[4-[8-tert-butyl-6-(3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone
CID 160588427
[6-(cyclopenten-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone
CID 158060649
[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one
CID 160873635
3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-oxobutanenitrile
CID 161384346
tert-butyl 4-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-(1-methylcyclopropyl)imidazo[1,2-b]pyridazin-2-yl]methanone
CID 157293439
4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid
CID 122573810
(3R)-4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-2-one;(3S)-4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-2-one;4-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;methyl 4-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylate
CID 158685890
5-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 134296673
(2S)-2-amino-5-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-oxopentanoic acid
CID 122573848

Frequently Asked Questions

What is the IUPAC name of 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate?
The IUPAC name of 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate (CID 154069586) is 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate?
The canonical SMILES for 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate is CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C(=O)[O-])CC3(C)C)nc12.
What is the InChIKey of 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate?
The InChIKey is ZEFXVLYITVKUPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H33F2N5O3/c1-22(2,3)16-12-17(15-6-8-24(25,26)9-7-15)28-31-13-18(27-19(16)31)20(32)30-11-10-29(21(33)34)14-23(30,4)5/h12-13,15H,6-11,14H2,1-5H3,(H,33,34)/p-1.
What are the key properties of 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate?
4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate has a molecular weight of 476.55 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 154069586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).