[(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone

C31H34F3N7O2 — CID 168822469

About [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone

[(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone (PubChem CID 168822469) has the molecular formula C31H34F3N7O2 and a molecular weight of 593.65 g/mol. Its IUPAC name is [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
• PubChem CID: 168822469
• Molecular Formula: C31H34F3N7O2
• Molecular Weight: 593.65 g/mol
• Exact Mass: 593.27
• IUPAC Name: [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
• SMILES: Cc1cc(Cc2nccn3c(-c4cn(C)nc4C(F)(F)F)cnc23)ccc1C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1
• InChI: InChI=1S/C31H34F3N7O2/c1-19-4-6-22(14-19)29(42)39-10-12-40(13-11-39)30(43)23-7-5-21(15-20(23)2)16-25-28-36-17-26(41(28)9-8-35-25)24-18-38(3)37-27(24)31(32,33)34/h5,7-9,15,17-19,22H,4,6,10-14,16H2,1-3H3/t19-,22-/m1/s1
• InChIKey: RGHFRYYKZBATIS-DENIHFKCSA-N
• XLogP: 4.77
• TPSA: 88.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.65
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone?

The IUPAC name of [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone (CID 168822469) is [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone.

What is the SMILES notation for [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone?

The canonical SMILES for [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone is Cc1cc(Cc2nccn3c(-c4cn(C)nc4C(F)(F)F)cnc23)ccc1C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1.

What is the InChIKey of [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone?

The InChIKey is RGHFRYYKZBATIS-DENIHFKCSA-N. The full InChI is InChI=1S/C31H34F3N7O2/c1-19-4-6-22(14-19)29(42)39-10-12-40(13-11-39)30(43)23-7-5-21(15-20(23)2)16-25-28-36-17-26(41(28)9-8-35-25)24-18-38(3)37-27(24)31(32,33)34/h5,7-9,15,17-19,22H,4,6,10-14,16H2,1-3H3/t19-,22-/m1/s1.

What are the key properties of [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone?

[(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone has a molecular weight of 593.65 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 168822469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).