N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C27H28FN5O2 — CID 67976879

About N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67976879) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 67976879
• Molecular Formula: C27H28FN5O2
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.22
• IUPAC Name: N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: CC(C)(O)CNc1nc(-c2ccc(CF)cc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
• InChI: InChI=1S/C27H28FN5O2/c1-27(2,35)16-30-24-25-29-14-23(19-7-9-20(10-8-19)26(34)31-21-11-12-21)33(25)15-22(32-24)18-5-3-17(13-28)4-6-18/h3-10,14-15,21,35H,11-13,16H2,1-2H3,(H,30,32)(H,31,34)
• InChIKey: XDJHDSJCXHGDQE-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 91.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67976879) is N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)(O)CNc1nc(-c2ccc(CF)cc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.

What is the InChIKey of N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The InChIKey is XDJHDSJCXHGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-27(2,35)16-30-24-25-29-14-23(19-7-9-20(10-8-19)26(34)31-21-11-12-21)33(25)15-22(32-24)18-5-3-17(13-28)4-6-18/h3-10,14-15,21,35H,11-13,16H2,1-2H3,(H,30,32)(H,31,34).

What are the key properties of N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67976879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).