5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione

C28H28F3N5O2 — CID 168822636

About 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione

5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione (PubChem CID 168822636) has the molecular formula C28H28F3N5O2 and a molecular weight of 523.56 g/mol. Its IUPAC name is 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione.

Molecular Properties

• Compound Name: 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione
• PubChem CID: 168822636
• Molecular Formula: C28H28F3N5O2
• Molecular Weight: 523.56 g/mol
• Exact Mass: 523.22
• IUPAC Name: 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione
• SMILES: Cc1cc(Cc2nccn3c(-c4cn[nH]c4C(F)(F)F)cnc23)ccc1C(=O)CCC(=O)CC1CCCC1
• InChI: InChI=1S/C28H28F3N5O2/c1-17-12-19(6-8-21(17)25(38)9-7-20(37)13-18-4-2-3-5-18)14-23-27-33-16-24(36(27)11-10-32-23)22-15-34-35-26(22)28(29,30)31/h6,8,10-12,15-16,18H,2-5,7,9,13-14H2,1H3,(H,34,35)
• InChIKey: DDQUOSYJKJCREN-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.56
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione?

The IUPAC name of 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione (CID 168822636) is 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione.

What is the SMILES notation for 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione?

The canonical SMILES for 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione is Cc1cc(Cc2nccn3c(-c4cn[nH]c4C(F)(F)F)cnc23)ccc1C(=O)CCC(=O)CC1CCCC1.

What is the InChIKey of 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione?

The InChIKey is DDQUOSYJKJCREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O2/c1-17-12-19(6-8-21(17)25(38)9-7-20(37)13-18-4-2-3-5-18)14-23-27-33-16-24(36(27)11-10-32-23)22-15-34-35-26(22)28(29,30)31/h6,8,10-12,15-16,18H,2-5,7,9,13-14H2,1H3,(H,34,35).

What are the key properties of 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione?

5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione has a molecular weight of 523.56 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]pentane-1,4-dione is sourced from PubChem (CID 168822636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).