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

C24H26N6O2S — CID 58364596

IUPACethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C24H26N6O2S/c1-4-32-24(31)21-15(2)10-20(33-21)28-22-23-25-12-19(17-11-26-29(3)13-17)30(23)14-18(27-22)16-8-6-5-7-9-16/h8,10-14H,4-7,9H2,1-3H3,(H,27,28)
InChIKeyFAZAGIZIXQWJOV-UHFFFAOYSA-N
MW462.58 g/mol
LogP5.38
Rot. Bonds6

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

ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 58364596) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 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-methylthiophene-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-methylthiophene-2-carboxylate
PubChem CID58364596
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Nameethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C24H26N6O2S/c1-4-32-24(31)21-15(2)10-20(33-21)28-22-23-25-12-19(17-11-26-29(3)13-17)30(23)14-18(27-22)16-8-6-5-7-9-16/h8,10-14H,4-7,9H2,1-3H3,(H,27,28)
InChIKeyFAZAGIZIXQWJOV-UHFFFAOYSA-N
XLogP5.38
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 55.38
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-methylthiophene-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
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
(8-Methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16569313
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
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
Ethyl 2-[[2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19484971
Methyl 2-[[2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19503566
Methyl 2-[[2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 19503577
ethyl 9-methyl-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 19581120
Ethyl 5-[[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24601389
3-(6-Aminopurin-9-yl)propyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 56187709

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-methylthiophene-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-methylthiophene-2-carboxylate (CID 58364596) is ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-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-methylthiophene-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-methylthiophene-2-carboxylate is CCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.
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-methylthiophene-2-carboxylate?
The InChIKey is FAZAGIZIXQWJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-4-32-24(31)21-15(2)10-20(33-21)28-22-23-25-12-19(17-11-26-29(3)13-17)30(23)14-18(27-22)16-8-6-5-7-9-16/h8,10-14H,4-7,9H2,1-3H3,(H,27,28).
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-methylthiophene-2-carboxylate?
ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 462.58 g/mol, XLogP of 5.38, 6 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-methylthiophene-2-carboxylate is sourced from PubChem (CID 58364596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).