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;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-carboxamide

C44H47N15O3S2 — CID 143465051

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;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-carboxamide

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;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-carboxamide (PubChem CID 143465051) has the molecular formula C44H47N15O3S2 and a molecular weight of 898.10 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;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-carboxamide.

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;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-carboxamide
• PubChem CID: 143465051
• Molecular Formula: C44H47N15O3S2
• Molecular Weight: 898.10 g/mol
• Exact Mass: 897.34
• 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;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-carboxamide
• SMILES: CCOC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O
• InChI: InChI=1S/C23H25N7O2S.C21H22N8OS/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;1-12-6-17(31-18(12)19(22)30)27-20-21-24-9-16(14-8-25-28(2)10-14)29(21)11-15(26-20)13-4-3-5-23-7-13/h6,8,10-13,24H,4-5,7,9H2,1-3H3,(H,27,28);4,6,8-11,23H,3,5,7H2,1-2H3,(H2,22,30)(H,26,27)
• InChIKey: ZVAJODSHFHVASK-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 213.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	898.10
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

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;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-carboxamide?

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;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-carboxamide (CID 143465051) 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;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-carboxamide.

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;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-carboxamide?

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;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-carboxamide is CCOC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O.

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;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-carboxamide?

The InChIKey is ZVAJODSHFHVASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S.C21H22N8OS/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;1-12-6-17(31-18(12)19(22)30)27-20-21-24-9-16(14-8-25-28(2)10-14)29(21)11-15(26-20)13-4-3-5-23-7-13/h6,8,10-13,24H,4-5,7,9H2,1-3H3,(H,27,28);4,6,8-11,23H,3,5,7H2,1-2H3,(H2,22,30)(H,26,27).

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;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-carboxamide?

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;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-carboxamide has a molecular weight of 898.10 g/mol, XLogP of 6.52, 11 rotatable bonds, 5 hydrogen bond donors, and 19 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;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-carboxamide is sourced from PubChem (CID 143465051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).