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

C25H29N7O2S — CID 58873860

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

ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate (PubChem CID 58873860) has the molecular formula C25H29N7O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
• PubChem CID: 58873860
• Molecular Formula: C25H29N7O2S
• Molecular Weight: 491.62 g/mol
• Exact Mass: 491.21
• IUPAC Name: ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
• SMILES: CCOC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C(C)C
• InChI: InChI=1S/C25H29N7O2S/c1-5-34-25(33)22-18(15(2)3)9-21(35-22)30-23-24-27-12-20(17-11-28-31(4)13-17)32(24)14-19(29-23)16-7-6-8-26-10-16/h7,9,11-15,26H,5-6,8,10H2,1-4H3,(H,29,30)
• InChIKey: XNRGBLARULAHTA-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.62
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?

The IUPAC name of ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate (CID 58873860) is ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate.

What is the SMILES notation for ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?

The canonical SMILES for ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate is CCOC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C(C)C.

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

The InChIKey is XNRGBLARULAHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S/c1-5-34-25(33)22-18(15(2)3)9-21(35-22)30-23-24-27-12-20(17-11-28-31(4)13-17)32(24)14-19(29-23)16-7-6-8-26-10-16/h7,9,11-15,26H,5-6,8,10H2,1-4H3,(H,29,30).

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

ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate has a molecular weight of 491.62 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 58873860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).