methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate

C24H24F2N6O2 — CID 171820902

IUPACmethyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(n2cc(Nc3ncc(-c4cc(C)c(F)cc4F)n4ccnc34)cn2)CC1
InChIInChI=1S/C24H24F2N6O2/c1-14-9-18(20(26)10-19(14)25)21-12-28-22(23-27-7-8-31(21)23)30-16-11-29-32(13-16)17-5-3-15(4-6-17)24(33)34-2/h7-13,15,17H,3-6H2,1-2H3,(H,28,30)
InChIKeyBWFJOMJZGOOYAJ-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.83
Rot. Bonds5

About methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate

methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate (PubChem CID 171820902) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate
PubChem CID171820902
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Namemethyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(n2cc(Nc3ncc(-c4cc(C)c(F)cc4F)n4ccnc34)cn2)CC1
InChIInChI=1S/C24H24F2N6O2/c1-14-9-18(20(26)10-19(14)25)21-12-28-22(23-27-7-8-31(21)23)30-16-11-29-32(13-16)17-5-3-15(4-6-17)24(33)34-2/h7-13,15,17H,3-6H2,1-2H3,(H,28,30)
InChIKeyBWFJOMJZGOOYAJ-UHFFFAOYSA-N
XLogP4.83
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

ethyl (3S)-3-benzyl-10-[4-(trifluoromethyl)phenyl]-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3-carboxylate
CID 118720417
3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525520
Methyl 3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525521
4-[[3-[8-[[6-(2-Methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoic acid
CID 71525522
Sodium 3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525523
3-(8-(6-(2-(Methoxymethyl)pyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525898
(S)-3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71526081
3-(8-(6-(2,5-Dimethylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71526263
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide
CID 118537209
N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 122604106
2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide
CID 122604108
Ethyl 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]cyclohexane-1-carboxylate
CID 168220116

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate (CID 171820902) is methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(n2cc(Nc3ncc(-c4cc(C)c(F)cc4F)n4ccnc34)cn2)CC1.
What is the InChIKey of methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate?
The InChIKey is BWFJOMJZGOOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-14-9-18(20(26)10-19(14)25)21-12-28-22(23-27-7-8-31(21)23)30-16-11-29-32(13-16)17-5-3-15(4-6-17)24(33)34-2/h7-13,15,17H,3-6H2,1-2H3,(H,28,30).
What are the key properties of methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate?
methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate has a molecular weight of 466.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 171820902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).