2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone

C26H26F3N5O — CID 168822602

About 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone

2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone (PubChem CID 168822602) has the molecular formula C26H26F3N5O and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone
• PubChem CID: 168822602
• Molecular Formula: C26H26F3N5O
• Molecular Weight: 481.52 g/mol
• Exact Mass: 481.21
• IUPAC Name: 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone
• SMILES: Cc1cc(Nc2nccn3c(C4=CCN=C4C(F)(F)F)cnc23)ccc1C(=O)C[C@H]1CC[C@H](C)C1
• InChI: InChI=1S/C26H26F3N5O/c1-15-3-4-17(11-15)13-22(35)19-6-5-18(12-16(19)2)33-24-25-32-14-21(34(25)10-9-31-24)20-7-8-30-23(20)26(27,28)29/h5-7,9-10,12,14-15,17H,3-4,8,11,13H2,1-2H3,(H,31,33)/t15-,17-/m0/s1
• InChIKey: BEYBPERAWVDHJH-RDJZCZTQSA-N
• XLogP: 6.19
• TPSA: 71.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.52
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone?

The IUPAC name of 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone (CID 168822602) is 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone.

What is the SMILES notation for 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone?

The canonical SMILES for 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone is Cc1cc(Nc2nccn3c(C4=CCN=C4C(F)(F)F)cnc23)ccc1C(=O)C[C@H]1CC[C@H](C)C1.

What is the InChIKey of 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone?

The InChIKey is BEYBPERAWVDHJH-RDJZCZTQSA-N. The full InChI is InChI=1S/C26H26F3N5O/c1-15-3-4-17(11-15)13-22(35)19-6-5-18(12-16(19)2)33-24-25-32-14-21(34(25)10-9-31-24)20-7-8-30-23(20)26(27,28)29/h5-7,9-10,12,14-15,17H,3-4,8,11,13H2,1-2H3,(H,31,33)/t15-,17-/m0/s1.

What are the key properties of 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone?

2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone has a molecular weight of 481.52 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone is sourced from PubChem (CID 168822602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).