4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile

C28H26N8 — CID 122583997

IUPAC4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4nccnc4c3)c3nccn23)CC1
InChIInChI=1S/C28H26N8/c1-34(2)22-9-14-35(15-10-22)28-33-26(20-5-3-19(18-29)4-6-20)25(27-32-13-16-36(27)28)21-7-8-23-24(17-21)31-12-11-30-23/h3-8,11-13,16-17,22H,9-10,14-15H2,1-2H3
InChIKeyHAOODOZUQSGHLG-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.41
Rot. Bonds4

About 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile

4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile (PubChem CID 122583997) has the molecular formula C28H26N8 and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile
PubChem CID122583997
Molecular FormulaC28H26N8
Molecular Weight474.57 g/mol
Exact Mass474.23
IUPAC Name4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4nccnc4c3)c3nccn23)CC1
InChIInChI=1S/C28H26N8/c1-34(2)22-9-14-35(15-10-22)28-33-26(20-5-3-19(18-29)4-6-20)25(27-32-13-16-36(27)28)21-7-8-23-24(17-21)31-12-11-30-23/h3-8,11-13,16-17,22H,9-10,14-15H2,1-2H3
InChIKeyHAOODOZUQSGHLG-UHFFFAOYSA-N
XLogP4.41
TPSA86.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile (CID 122583997) is 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile is CN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4nccnc4c3)c3nccn23)CC1.
What is the InChIKey of 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is HAOODOZUQSGHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8/c1-34(2)22-9-14-35(15-10-22)28-33-26(20-5-3-19(18-29)4-6-20)25(27-32-13-16-36(27)28)21-7-8-23-24(17-21)31-12-11-30-23/h3-8,11-13,16-17,22H,9-10,14-15H2,1-2H3.
What are the key properties of 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 474.57 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-quinoxalin-6-ylimidazo[1,2-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 122583997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).