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

C23H25N7O2S — CID 58874015

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

ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate (PubChem CID 58874015) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate
• PubChem CID: 58874015
• Molecular Formula: C23H25N7O2S
• Molecular Weight: 463.57 g/mol
• Exact Mass: 463.18
• IUPAC Name: ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate
• SMILES: CCOC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
• InChI: InChI=1S/C23H25N7O2S/c1-4-32-23(31)20-14(2)8-19(33-20)28-21-22-25-11-18(16-10-26-29(3)12-16)30(22)13-17(27-21)15-6-5-7-24-9-15/h6,8,10-13,24H,4-5,7,9H2,1-3H3,(H,27,28)
• InChIKey: DSLPZJLPIYYRHQ-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.57
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-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)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate (CID 58874015) is ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-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)-6-(1,2,3,6-tetrahydropyridin-5-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)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.

What is the InChIKey of ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate?

The InChIKey is DSLPZJLPIYYRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-4-32-23(31)20-14(2)8-19(33-20)28-21-22-25-11-18(16-10-26-29(3)12-16)30(22)13-17(27-21)15-6-5-7-24-9-15/h6,8,10-13,24H,4-5,7,9H2,1-3H3,(H,27,28).

What are the key properties of ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate?

ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate has a molecular weight of 463.57 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 58874015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).