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

C20H21N9 — CID 171101715

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

5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171101715) has the molecular formula C20H21N9 and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 171101715
• Molecular Formula: C20H21N9
• Molecular Weight: 387.45 g/mol
• Exact Mass: 387.19
• IUPAC Name: 5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
• SMILES: N#Cc1cnc(Nc2cn(-c3ccc(N4CCC(N5CCC5)C4)cn3)cn2)cn1
• InChI: InChI=1S/C20H21N9/c21-8-15-9-23-18(11-22-15)26-19-13-29(14-25-19)20-3-2-16(10-24-20)28-7-4-17(12-28)27-5-1-6-27/h2-3,9-11,13-14,17H,1,4-7,12H2,(H,23,26)
• InChIKey: AYHYGTMNJQUXDM-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 98.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.45
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (CID 171101715) is 5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

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

The canonical SMILES for 5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cn(-c3ccc(N4CCC(N5CCC5)C4)cn3)cn2)cn1.

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

The InChIKey is AYHYGTMNJQUXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9/c21-8-15-9-23-18(11-22-15)26-19-13-29(14-25-19)20-3-2-16(10-24-20)28-7-4-17(12-28)27-5-1-6-27/h2-3,9-11,13-14,17H,1,4-7,12H2,(H,23,26).

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

5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 387.45 g/mol, XLogP of 1.96, 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-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171101715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).