4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile

C21H17N5S — CID 165179021

IUPAC4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile
SMILESCN(C)c1ccc(-c2ncc(Sc3ccc(C#N)cc3)n3ccnc23)cc1
InChIInChI=1S/C21H17N5S/c1-25(2)17-7-5-16(6-8-17)20-21-23-11-12-26(21)19(14-24-20)27-18-9-3-15(13-22)4-10-18/h3-12,14H,1-2H3
InChIKeyPOOQRLRVIIXIKR-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.49
Rot. Bonds4

About 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile

4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile (PubChem CID 165179021) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile.

Molecular Properties

Compound Name4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile
PubChem CID165179021
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC Name4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile
SMILESCN(C)c1ccc(-c2ncc(Sc3ccc(C#N)cc3)n3ccnc23)cc1
InChIInChI=1S/C21H17N5S/c1-25(2)17-7-5-16(6-8-17)20-21-23-11-12-26(21)19(14-24-20)27-18-9-3-15(13-22)4-10-18/h3-12,14H,1-2H3
InChIKeyPOOQRLRVIIXIKR-UHFFFAOYSA-N
XLogP4.49
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile?
The IUPAC name of 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile (CID 165179021) is 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile.
What is the SMILES notation for 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile?
The canonical SMILES for 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile is CN(C)c1ccc(-c2ncc(Sc3ccc(C#N)cc3)n3ccnc23)cc1.
What is the InChIKey of 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile?
The InChIKey is POOQRLRVIIXIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c1-25(2)17-7-5-16(6-8-17)20-21-23-11-12-26(21)19(14-24-20)27-18-9-3-15(13-22)4-10-18/h3-12,14H,1-2H3.
What are the key properties of 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile?
4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile has a molecular weight of 371.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile is sourced from PubChem (CID 165179021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).