[4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C25H26F3N9O — CID 54755509

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

[4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 54755509) has the molecular formula C25H26F3N9O and a molecular weight of 525.54 g/mol. Its IUPAC name is [4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: [4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
• PubChem CID: 54755509
• Molecular Formula: C25H26F3N9O
• Molecular Weight: 525.54 g/mol
• Exact Mass: 525.22
• IUPAC Name: [4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
• SMILES: Cc1cccc2c1nnn2-c1ccnc(NC2CCC(C(=O)N3CCn4cc(C(F)(F)F)nc4C3)CC2)n1
• InChI: InChI=1S/C25H26F3N9O/c1-15-3-2-4-18-22(15)33-34-37(18)20-9-10-29-24(32-20)30-17-7-5-16(6-8-17)23(38)36-12-11-35-13-19(25(26,27)28)31-21(35)14-36/h2-4,9-10,13,16-17H,5-8,11-12,14H2,1H3,(H,29,30,32)
• InChIKey: GKFQYCHCVHPNMT-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.54
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 54755509) is [4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for [4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1cccc2c1nnn2-c1ccnc(NC2CCC(C(=O)N3CCn4cc(C(F)(F)F)nc4C3)CC2)n1.

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

The InChIKey is GKFQYCHCVHPNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N9O/c1-15-3-2-4-18-22(15)33-34-37(18)20-9-10-29-24(32-20)30-17-7-5-16(6-8-17)23(38)36-12-11-35-13-19(25(26,27)28)31-21(35)14-36/h2-4,9-10,13,16-17H,5-8,11-12,14H2,1H3,(H,29,30,32).

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

[4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 525.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 54755509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).