5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid

C27H24F3N7O6S — CID 86345643

About 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid

5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 86345643) has the molecular formula C27H24F3N7O6S and a molecular weight of 631.59 g/mol. Its IUPAC name is 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 86345643
• Molecular Formula: C27H24F3N7O6S
• Molecular Weight: 631.59 g/mol
• Exact Mass: 631.15
• IUPAC Name: 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid
• SMILES: NS(=O)(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H23N7O4S.C2HF3O2/c26-37(33,34)23-8-6-18(13-27-23)21-14-28-24(31-9-11-35-12-10-31)25-29-19(15-32(21)25)16-36-22-7-5-17-3-1-2-4-20(17)30-22;3-2(4,5)1(6)7/h1-8,13-15H,9-12,16H2,(H2,26,33,34);(H,6,7)
• InChIKey: IXWPAURGYOZSCT-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 175.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.59
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid (CID 86345643) is 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1.O=C(O)C(F)(F)F.

What is the InChIKey of 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is IXWPAURGYOZSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4S.C2HF3O2/c26-37(33,34)23-8-6-18(13-27-23)21-14-28-24(31-9-11-35-12-10-31)25-29-19(15-32(21)25)16-36-22-7-5-17-3-1-2-4-20(17)30-22;3-2(4,5)1(6)7/h1-8,13-15H,9-12,16H2,(H2,26,33,34);(H,6,7).

What are the key properties of 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid?

5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 631.59 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86345643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).