5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

C19H20N8 — CID 171101570

About 5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171101570) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 171101570
• Molecular Formula: C19H20N8
• Molecular Weight: 360.43 g/mol
• Exact Mass: 360.18
• IUPAC Name: 5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
• SMILES: CC1CC(N)CN1c1ccc(-n2cnc(Nc3cnc(C#N)cn3)c2)cc1
• InChI: InChI=1S/C19H20N8/c1-13-6-14(21)10-27(13)17-4-2-16(3-5-17)26-11-19(24-12-26)25-18-9-22-15(7-20)8-23-18/h2-5,8-9,11-14H,6,10,21H2,1H3,(H,23,25)
• InChIKey: NDNMZHNFGXFFPA-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 108.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.43
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (CID 171101570) is 5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

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

The canonical SMILES for 5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is CC1CC(N)CN1c1ccc(-n2cnc(Nc3cnc(C#N)cn3)c2)cc1.

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

The InChIKey is NDNMZHNFGXFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-13-6-14(21)10-27(13)17-4-2-16(3-5-17)26-11-19(24-12-26)25-18-9-22-15(7-20)8-23-18/h2-5,8-9,11-14H,6,10,21H2,1H3,(H,23,25).

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

5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 360.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171101570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).