3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

C28H29F3N6O — CID 67891361

About 3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 67891361) has the molecular formula C28H29F3N6O and a molecular weight of 522.58 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 67891361
• Molecular Formula: C28H29F3N6O
• Molecular Weight: 522.58 g/mol
• Exact Mass: 522.24
• IUPAC Name: 3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
• SMILES: CC(C)N1CCN(Cc2ccc(NC(=O)c3cccc(-c4cnc5cnccn45)c3)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C28H29F3N6O/c1-19(2)36-12-10-35(11-13-36)18-22-6-7-23(15-24(22)28(29,30)31)34-27(38)21-5-3-4-20(14-21)25-16-33-26-17-32-8-9-37(25)26/h3-9,14-17,19H,10-13,18H2,1-2H3,(H,34,38)
• InChIKey: VLLRSCYMNGPWCO-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 65.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.58
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide (CID 67891361) is 3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for 3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide is CC(C)N1CCN(Cc2ccc(NC(=O)c3cccc(-c4cnc5cnccn45)c3)cc2C(F)(F)F)CC1.

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

The InChIKey is VLLRSCYMNGPWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O/c1-19(2)36-12-10-35(11-13-36)18-22-6-7-23(15-24(22)28(29,30)31)34-27(38)21-5-3-4-20(14-21)25-16-33-26-17-32-8-9-37(25)26/h3-9,14-17,19H,10-13,18H2,1-2H3,(H,34,38).

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

3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 522.58 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imidazo[1,2-a]pyrazin-3-yl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 67891361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).