1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C22H25F3N8O — CID 166645110

About 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 166645110) has the molecular formula C22H25F3N8O and a molecular weight of 474.49 g/mol. Its IUPAC name is 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• PubChem CID: 166645110
• Molecular Formula: C22H25F3N8O
• Molecular Weight: 474.49 g/mol
• Exact Mass: 474.21
• IUPAC Name: 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• SMILES: Cc1nc(NCc2cnn(Cc3nccc(C(F)(F)F)n3)c2)cc2c1NC(=O)C(C(C)C)N2C
• InChI: InChI=1S/C22H25F3N8O/c1-12(2)20-21(34)31-19-13(3)29-17(7-15(19)32(20)4)27-8-14-9-28-33(10-14)11-18-26-6-5-16(30-18)22(23,24)25/h5-7,9-10,12,20H,8,11H2,1-4H3,(H,27,29)(H,31,34)
• InChIKey: UMXLBICFYZGNPW-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.49
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The IUPAC name of 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 166645110) is 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

What is the SMILES notation for 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The canonical SMILES for 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2cnn(Cc3nccc(C(F)(F)F)n3)c2)cc2c1NC(=O)C(C(C)C)N2C.

What is the InChIKey of 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

The InChIKey is UMXLBICFYZGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N8O/c1-12(2)20-21(34)31-19-13(3)29-17(7-15(19)32(20)4)27-8-14-9-28-33(10-14)11-18-26-6-5-16(30-18)22(23,24)25/h5-7,9-10,12,20H,8,11H2,1-4H3,(H,27,29)(H,31,34).

What are the key properties of 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?

1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 474.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 166645110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).