5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C23H32N8O2 — CID 146047522

About 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 146047522) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 146047522
• Molecular Formula: C23H32N8O2
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.26
• IUPAC Name: 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: COc1cc(CN[C@H](C)CN2CCOCC2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1
• InChI: InChI=1S/C23H32N8O2/c1-16(15-31-5-7-33-8-6-31)25-12-17-3-4-19(21(9-17)32-2)20-10-22(30-29-20)28-23-14-26-18(11-24)13-27-23/h3-4,9,13-14,16,20,22,25,29-30H,5-8,10,12,15H2,1-2H3,(H,27,28)/t16-,20?,22?/m1/s1
• InChIKey: WXJMQGLAWDIERT-MIJUQJRQSA-N
• XLogP: 1.14
• TPSA: 119.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 146047522) is 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(CN[C@H](C)CN2CCOCC2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1.

What is the InChIKey of 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is WXJMQGLAWDIERT-MIJUQJRQSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-16(15-31-5-7-33-8-6-31)25-12-17-3-4-19(21(9-17)32-2)20-10-22(30-29-20)28-23-14-26-18(11-24)13-27-23/h3-4,9,13-14,16,20,22,25,29-30H,5-8,10,12,15H2,1-2H3,(H,27,28)/t16-,20?,22?/m1/s1.

What are the key properties of 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 452.56 g/mol, XLogP of 1.14, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[2-methoxy-4-[[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 146047522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).