N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide

C25H28N8O2S — CID 135361829

About N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide

N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide (PubChem CID 135361829) has the molecular formula C25H28N8O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide
• PubChem CID: 135361829
• Molecular Formula: C25H28N8O2S
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide
• SMILES: CCn1ccc2cc(C(=O)NC3CCCN(c4cnc(C(N)=O)c(Nc5cc(C)ns5)n4)C3)ccc21
• InChI: InChI=1S/C25H28N8O2S/c1-3-32-10-8-16-12-17(6-7-19(16)32)25(35)28-18-5-4-9-33(14-18)20-13-27-22(23(26)34)24(29-20)30-21-11-15(2)31-36-21/h6-8,10-13,18H,3-5,9,14H2,1-2H3,(H2,26,34)(H,28,35)(H,29,30)
• InChIKey: QGJNYVGDPIGNHW-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 131.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide?

The IUPAC name of N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide (CID 135361829) is N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide.

What is the SMILES notation for N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide?

The canonical SMILES for N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide is CCn1ccc2cc(C(=O)NC3CCCN(c4cnc(C(N)=O)c(Nc5cc(C)ns5)n4)C3)ccc21.

What is the InChIKey of N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide?

The InChIKey is QGJNYVGDPIGNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2S/c1-3-32-10-8-16-12-17(6-7-19(16)32)25(35)28-18-5-4-9-33(14-18)20-13-27-22(23(26)34)24(29-20)30-21-11-15(2)31-36-21/h6-8,10-13,18H,3-5,9,14H2,1-2H3,(H2,26,34)(H,28,35)(H,29,30).

What are the key properties of N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide?

N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide has a molecular weight of 504.62 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide is sourced from PubChem (CID 135361829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).