5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

C20H22N8 — CID 171101323

About 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171101323) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 171101323
• Molecular Formula: C20H22N8
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.20
• IUPAC Name: 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
• SMILES: CN1CCCN(c2cccc(-n3cnc(Nc4cnc(C#N)cn4)c3)c2)CC1
• InChI: InChI=1S/C20H22N8/c1-26-6-3-7-27(9-8-26)17-4-2-5-18(10-17)28-14-20(24-15-28)25-19-13-22-16(11-21)12-23-19/h2,4-5,10,12-15H,3,6-9H2,1H3,(H,23,25)
• InChIKey: QNVLOIYHXYGFKK-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 85.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (CID 171101323) is 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is CN1CCCN(c2cccc(-n3cnc(Nc4cnc(C#N)cn4)c3)c2)CC1.

What is the InChIKey of 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is QNVLOIYHXYGFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-26-6-3-7-27(9-8-26)17-4-2-5-18(10-17)28-14-20(24-15-28)25-19-13-22-16(11-21)12-23-19/h2,4-5,10,12-15H,3,6-9H2,1H3,(H,23,25).

What are the key properties of 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?

5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 374.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171101323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).