5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

C19H21N9 — CID 171101748

About 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171101748) has the molecular formula C19H21N9 and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 171101748
• Molecular Formula: C19H21N9
• Molecular Weight: 375.44 g/mol
• Exact Mass: 375.19
• IUPAC Name: 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
• SMILES: CN(C)C1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)nc2)C1
• InChI: InChI=1S/C19H21N9/c1-26(2)16-5-6-27(11-16)15-3-4-19(23-9-15)28-12-18(24-13-28)25-17-10-21-14(7-20)8-22-17/h3-4,8-10,12-13,16H,5-6,11H2,1-2H3,(H,22,25)
• InChIKey: INAQSAXLYAIEJV-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 98.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.44
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (CID 171101748) is 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is CN(C)C1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)nc2)C1.

What is the InChIKey of 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is INAQSAXLYAIEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9/c1-26(2)16-5-6-27(11-16)15-3-4-19(23-9-15)28-12-18(24-13-28)25-17-10-21-14(7-20)8-22-17/h3-4,8-10,12-13,16H,5-6,11H2,1-2H3,(H,22,25).

What are the key properties of 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?

5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 375.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171101748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).