6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone

C24H20F3N7O — CID 118092727

About 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone (PubChem CID 118092727) has the molecular formula C24H20F3N7O and a molecular weight of 479.47 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone
• PubChem CID: 118092727
• Molecular Formula: C24H20F3N7O
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.17
• IUPAC Name: 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(=O)N3CCn4ccnc4C3)nc2)c1
• InChI: InChI=1S/C24H20F3N7O/c1-15-10-17(12-18(11-15)31-23-29-5-4-20(32-23)24(25,26)27)16-2-3-19(30-13-16)22(35)34-9-8-33-7-6-28-21(33)14-34/h2-7,10-13H,8-9,14H2,1H3,(H,29,31,32)
• InChIKey: XWHZHODLLCIOGN-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone?

The IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone (CID 118092727) is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone.

What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone?

The canonical SMILES for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(=O)N3CCn4ccnc4C3)nc2)c1.

What is the InChIKey of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone?

The InChIKey is XWHZHODLLCIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O/c1-15-10-17(12-18(11-15)31-23-29-5-4-20(32-23)24(25,26)27)16-2-3-19(30-13-16)22(35)34-9-8-33-7-6-28-21(33)14-34/h2-7,10-13H,8-9,14H2,1H3,(H,29,31,32).

What are the key properties of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone?

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone has a molecular weight of 479.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]methanone is sourced from PubChem (CID 118092727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).