ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate

C26H30N6O2S — CID 58364799

IUPACethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C(C)C
InChIInChI=1S/C26H30N6O2S/c1-5-34-26(33)23-19(16(2)3)11-22(35-23)30-24-25-27-13-21(18-12-28-31(4)14-18)32(25)15-20(29-24)17-9-7-6-8-10-17/h9,11-16H,5-8,10H2,1-4H3,(H,29,30)
InChIKeySTBPRIZTSLJRNI-UHFFFAOYSA-N
MW490.63 g/mol
LogP6.19
Rot. Bonds7

About ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate

ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate (PubChem CID 58364799) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
PubChem CID58364799
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Nameethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C(C)C
InChIInChI=1S/C26H30N6O2S/c1-5-34-26(33)23-19(16(2)3)11-22(35-23)30-24-25-27-13-21(18-12-28-31(4)14-18)32(25)15-20(29-24)17-9-7-6-8-10-17/h9,11-16H,5-8,10H2,1-4H3,(H,29,30)
InChIKeySTBPRIZTSLJRNI-UHFFFAOYSA-N
XLogP6.19
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate with MolForge

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Related Compounds

Methyl 3-[4-[[6-(methylamino)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]thiophene-2-carboxylate
CID 145978300
Methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate
CID 171348500
Methyl 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate
CID 171351979
ethyl 5-((2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)thiophene-2-carboxylate
CID 155280512
Ethyl 5-methyl-4-[(1-methylpyrazol-3-yl)amino]-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 16258499
ethyl 9-methyl-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 4776059
(8-Methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16569313
ethyl 9-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 17021449
ethyl 2-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 17021489
Methyl 4-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334901
methyl 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334909
ethyl 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334942

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate (CID 58364799) is ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate is CCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C(C)C.
What is the InChIKey of ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?
The InChIKey is STBPRIZTSLJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c1-5-34-26(33)23-19(16(2)3)11-22(35-23)30-24-25-27-13-21(18-12-28-31(4)14-18)32(25)15-20(29-24)17-9-7-6-8-10-17/h9,11-16H,5-8,10H2,1-4H3,(H,29,30).
What are the key properties of ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?
ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate has a molecular weight of 490.63 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 58364799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).