4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C33H37BrN10O2 — CID 158358489

IUPAC4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4ccc(-n5cccn5)cc4)n3n2)CC1.OC1CCC(Nc2ccc3ncc(Br)n3n2)CC1
InChIInChI=1S/C21H22N6O.C12H15BrN4O/c28-18-8-4-16(5-9-18)24-20-10-11-21-22-14-19(27(21)25-20)15-2-6-17(7-3-15)26-13-1-12-23-26;13-10-7-14-12-6-5-11(16-17(10)12)15-8-1-3-9(18)4-2-8/h1-3,6-7,10-14,16,18,28H,4-5,8-9H2,(H,24,25);5-9,18H,1-4H2,(H,15,16)
InChIKeyGTEFJHOGKFFWNN-UHFFFAOYSA-N
MW685.63 g/mol
LogP5.50
Rot. Bonds6

About 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 158358489) has the molecular formula C33H37BrN10O2 and a molecular weight of 685.63 g/mol. Its IUPAC name is 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID158358489
Molecular FormulaC33H37BrN10O2
Molecular Weight685.63 g/mol
Exact Mass684.23
IUPAC Name4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4ccc(-n5cccn5)cc4)n3n2)CC1.OC1CCC(Nc2ccc3ncc(Br)n3n2)CC1
InChIInChI=1S/C21H22N6O.C12H15BrN4O/c28-18-8-4-16(5-9-18)24-20-10-11-21-22-14-19(27(21)25-20)15-2-6-17(7-3-15)26-13-1-12-23-26;13-10-7-14-12-6-5-11(16-17(10)12)15-8-1-3-9(18)4-2-8/h1-3,6-7,10-14,16,18,28H,4-5,8-9H2,(H,24,25);5-9,18H,1-4H2,(H,15,16)
InChIKeyGTEFJHOGKFFWNN-UHFFFAOYSA-N
XLogP5.50
TPSA142.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500685.63
LogP ≤ 55.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[2-(3,7-Dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol;hydrochloride
CID 155557568
4-[5-[[6-[4-(Dimethylamino)piperidin-1-yl]pyridazin-3-yl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]cyclohexan-1-ol
CID 58299859
4-[6-(Butylamino)-3-(3-fluoro-4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 68212782
4-[6-(Butylamino)-3-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 71289234
[1-[6-[(6-Phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 71525809
US10336761, Example 236
CID 126484311
4-[[5-[1-(2,2-Difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol
CID 168218362
4-[[5-[3-(2,2-Difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol
CID 168219976
4-[[5-[3-(2,2-Difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 169277876
US10544143, Example 392
CID 138686919
US11459329, Example 37
CID 148901223
2-[(2S)-1-[6-[[6-(5-amino-3-methylpyrazol-1-yl)-3-pyridinyl]methylamino]-9-ethylpurin-2-yl]piperidin-2-yl]ethanol
CID 176264355

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 158358489) is 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3ncc(-c4ccc(-n5cccn5)cc4)n3n2)CC1.OC1CCC(Nc2ccc3ncc(Br)n3n2)CC1.
What is the InChIKey of 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is GTEFJHOGKFFWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O.C12H15BrN4O/c28-18-8-4-16(5-9-18)24-20-10-11-21-22-14-19(27(21)25-20)15-2-6-17(7-3-15)26-13-1-12-23-26;13-10-7-14-12-6-5-11(16-17(10)12)15-8-1-3-9(18)4-2-8/h1-3,6-7,10-14,16,18,28H,4-5,8-9H2,(H,24,25);5-9,18H,1-4H2,(H,15,16).
What are the key properties of 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 685.63 g/mol, XLogP of 5.50, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol;4-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 158358489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).