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

IUPAC4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCN(C)[C@H]1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc(N4CCCC4=O)nc3)n3ccnc23)C1
InChIInChI=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
InChIKeyZMZKZMODNJMDLH-QFIPXVFZSA-N
MW492.59 g/mol
LogP3.60
Rot. Bonds5

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 Name4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
PubChem CID118645838
Molecular FormulaC28H28N8O
Molecular Weight492.59 g/mol
Exact Mass492.24
IUPAC Name4-[8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCN(C)[C@H]1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc(N4CCCC4=O)nc3)n3ccnc23)C1
InChIInChI=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
InChIKeyZMZKZMODNJMDLH-QFIPXVFZSA-N
XLogP3.60
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).