N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide

C26H24F3N5O2 — CID 90442621

About N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90442621) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 90442621
• Molecular Formula: C26H24F3N5O2
• Molecular Weight: 495.51 g/mol
• Exact Mass: 495.19
• IUPAC Name: N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2ccnc2c(N2CCOC[C@H]2C)n1
• InChI: InChI=1S/C26H24F3N5O2/c1-16-6-7-20(31-25(35)18-4-3-5-19(12-18)26(27,28)29)13-21(16)22-14-33-9-8-30-23(33)24(32-22)34-10-11-36-15-17(34)2/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,31,35)/t17-/m1/s1
• InChIKey: XWQFRYNHIVMONA-QGZVFWFLSA-N
• XLogP: 5.20
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.51
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 90442621) is N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2ccnc2c(N2CCOC[C@H]2C)n1.

What is the InChIKey of N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is XWQFRYNHIVMONA-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-16-6-7-20(31-25(35)18-4-3-5-19(12-18)26(27,28)29)13-21(16)22-14-33-9-8-30-23(33)24(32-22)34-10-11-36-15-17(34)2/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,31,35)/t17-/m1/s1.

What are the key properties of N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?

N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 495.51 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90442621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).