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

C18H18N6O2S — CID 58874017

IUPACethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C18H18N6O2S/c1-4-26-18(25)15-11(2)7-14(27-15)22-16-17-20-9-13(24(17)6-5-19-16)12-8-21-23(3)10-12/h5-10H,4H2,1-3H3,(H,19,22)
InChIKeyIOIGCGBNCAOJIV-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.42
Rot. Bonds5

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

ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate (PubChem CID 58874017) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate
PubChem CID58874017
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Nameethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C18H18N6O2S/c1-4-26-18(25)15-11(2)7-14(27-15)22-16-17-20-9-13(24(17)6-5-19-16)12-8-21-23(3)10-12/h5-10H,4H2,1-3H3,(H,19,22)
InChIKeyIOIGCGBNCAOJIV-UHFFFAOYSA-N
XLogP3.42
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
Methyl 5-{imidazo[1,2-a]pyridine-6-amido}-3-methylthiophene-2-carboxylate
CID 72130140
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 12-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334870
Methyl 4-[[3-(difluoromethyl)-5-methylpyrazol-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 19334899
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate (CID 58874017) is ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate?
The InChIKey is IOIGCGBNCAOJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-4-26-18(25)15-11(2)7-14(27-15)22-16-17-20-9-13(24(17)6-5-19-16)12-8-21-23(3)10-12/h5-10H,4H2,1-3H3,(H,19,22).
What are the key properties of ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate has a molecular weight of 382.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 58874017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).