2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide

C22H18F4N6O2S — CID 44540577

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide

2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 44540577) has the molecular formula C22H18F4N6O2S and a molecular weight of 506.49 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

• Compound Name: 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide
• PubChem CID: 44540577
• Molecular Formula: C22H18F4N6O2S
• Molecular Weight: 506.49 g/mol
• Exact Mass: 506.11
• IUPAC Name: 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide
• SMILES: O=C(Nc1nc(CN2CCOCC2)cs1)c1nccn2cc(-c3ccc(F)cc3C(F)(F)F)nc12
• InChI: InChI=1S/C22H18F4N6O2S/c23-13-1-2-15(16(9-13)22(24,25)26)17-11-32-4-3-27-18(19(32)29-17)20(33)30-21-28-14(12-35-21)10-31-5-7-34-8-6-31/h1-4,9,11-12H,5-8,10H2,(H,28,30,33)
• InChIKey: ZGDCTQCUFCJMOJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.49
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide?

The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide (CID 44540577) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide.

What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide?

The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1nccn2cc(-c3ccc(F)cc3C(F)(F)F)nc12.

What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide?

The InChIKey is ZGDCTQCUFCJMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N6O2S/c23-13-1-2-15(16(9-13)22(24,25)26)17-11-32-4-3-27-18(19(32)29-17)20(33)30-21-28-14(12-35-21)10-31-5-7-34-8-6-31/h1-4,9,11-12H,5-8,10H2,(H,28,30,33).

What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide?

2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 44540577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).