N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)

C26H24F7N7O6 — CID 167500340

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 167500340) has the molecular formula C26H24F7N7O6 and a molecular weight of 663.51 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 167500340
• Molecular Formula: C26H24F7N7O6
• Molecular Weight: 663.51 g/mol
• Exact Mass: 663.17
• IUPAC Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1cnc2c(N3CCNCC3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H22FN7O2.2C2HF3O2/c1-13-11-30-12-14(9-16(23)21(30)26-13)27-22(31)15-3-4-17(29-7-5-24-6-8-29)20-19(15)28-18(32-2)10-25-20;2*3-2(4,5)1(6)7/h3-4,9-12,24H,5-8H2,1-2H3,(H,27,31);2*(H,6,7)
• InChIKey: SYCFVZHFEBCRQL-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 171.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	663.51
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 167500340) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid) is COc1cnc2c(N3CCNCC3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is SYCFVZHFEBCRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2.2C2HF3O2/c1-13-11-30-12-14(9-16(23)21(30)26-13)27-22(31)15-3-4-17(29-7-5-24-6-8-29)20-19(15)28-18(32-2)10-25-20;2*3-2(4,5)1(6)7/h3-4,9-12,24H,5-8H2,1-2H3,(H,27,31);2*(H,6,7).

What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 663.51 g/mol, XLogP of 3.66, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 167500340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).