2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile

C24H26FN7O — CID 146203309

About 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile

2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile (PubChem CID 146203309) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile.

Molecular Properties

• Compound Name: 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile
• PubChem CID: 146203309
• Molecular Formula: C24H26FN7O
• Molecular Weight: 447.52 g/mol
• Exact Mass: 447.22
• IUPAC Name: 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile
• SMILES: Cc1nc(NCc2cnn(Cc3ccc(F)cc3C#N)c2)cc2c1NC(=O)C(C(C)C)N2C
• InChI: InChI=1S/C24H26FN7O/c1-14(2)23-24(33)30-22-15(3)29-21(8-20(22)31(23)4)27-10-16-11-28-32(12-16)13-17-5-6-19(25)7-18(17)9-26/h5-8,11-12,14,23H,10,13H2,1-4H3,(H,27,29)(H,30,33)
• InChIKey: MOAVKLPLEXQNCY-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 98.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.52
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile?

The IUPAC name of 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile (CID 146203309) is 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile.

What is the SMILES notation for 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile?

The canonical SMILES for 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile is Cc1nc(NCc2cnn(Cc3ccc(F)cc3C#N)c2)cc2c1NC(=O)C(C(C)C)N2C.

What is the InChIKey of 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile?

The InChIKey is MOAVKLPLEXQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-14(2)23-24(33)30-22-15(3)29-21(8-20(22)31(23)4)27-10-16-11-28-32(12-16)13-17-5-6-19(25)7-18(17)9-26/h5-8,11-12,14,23H,10,13H2,1-4H3,(H,27,29)(H,30,33).

What are the key properties of 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile?

2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile has a molecular weight of 447.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile is sourced from PubChem (CID 146203309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).