4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile

C28H28N8O — CID 118645838

About 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile

4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile (PubChem CID 118645838) has the molecular formula C28H28N8O and a molecular weight of 492.59 g/mol. Its IUPAC name is 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
• PubChem CID: 118645838
• Molecular Formula: C28H28N8O
• Molecular Weight: 492.59 g/mol
• Exact Mass: 492.24
• IUPAC Name: 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
• SMILES: CN(C)[C@H]1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc(N4CCCC4=O)nc3)n3ccnc23)C1
• InChI: InChI=1S/C28H28N8O/c1-33(2)22-11-14-34(18-22)28-27-30-12-15-36(27)26(25(32-28)20-7-5-19(16-29)6-8-20)21-9-10-23(31-17-21)35-13-3-4-24(35)37/h5-10,12,15,17,22H,3-4,11,13-14,18H2,1-2H3/t22-/m0/s1
• InChIKey: ZMZKZMODNJMDLH-QFIPXVFZSA-N
• XLogP: 3.60
• TPSA: 93.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.59
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile?

The IUPAC name of 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile (CID 118645838) is 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile.

What is the SMILES notation for 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile?

The canonical SMILES for 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile is CN(C)[C@H]1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc(N4CCCC4=O)nc3)n3ccnc23)C1.

What is the InChIKey of 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile?

The InChIKey is ZMZKZMODNJMDLH-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H28N8O/c1-33(2)22-11-14-34(18-22)28-27-30-12-15-36(27)26(25(32-28)20-7-5-19(16-29)6-8-20)21-9-10-23(31-17-21)35-13-3-4-24(35)37/h5-10,12,15,17,22H,3-4,11,13-14,18H2,1-2H3/t22-/m0/s1.

What are the key properties of 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile?

4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile has a molecular weight of 492.59 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118645838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).