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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).