4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

C25H21N7S — CID 118645871

IUPAC4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(NCCc3csc(N)n3)c3nccn23)cc1
InChIInChI=1S/C25H21N7S/c1-16-2-6-19(7-3-16)22-21(18-8-4-17(14-26)5-9-18)31-23(24-29-12-13-32(22)24)28-11-10-20-15-33-25(27)30-20/h2-9,12-13,15H,10-11H2,1H3,(H2,27,30)(H,28,31)
InChIKeyPHZZGRZCZAWICG-UHFFFAOYSA-N
MW451.56 g/mol
LogP4.94
Rot. Bonds6

About 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (PubChem CID 118645871) has the molecular formula C25H21N7S and a molecular weight of 451.56 g/mol. Its IUPAC name is 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
PubChem CID118645871
Molecular FormulaC25H21N7S
Molecular Weight451.56 g/mol
Exact Mass451.16
IUPAC Name4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(NCCc3csc(N)n3)c3nccn23)cc1
InChIInChI=1S/C25H21N7S/c1-16-2-6-19(7-3-16)22-21(18-8-4-17(14-26)5-9-18)31-23(24-29-12-13-32(22)24)28-11-10-20-15-33-25(27)30-20/h2-9,12-13,15H,10-11H2,1H3,(H2,27,30)(H,28,31)
InChIKeyPHZZGRZCZAWICG-UHFFFAOYSA-N
XLogP4.94
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (CID 118645871) is 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc(NCCc3csc(N)n3)c3nccn23)cc1.
What is the InChIKey of 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The InChIKey is PHZZGRZCZAWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7S/c1-16-2-6-19(7-3-16)22-21(18-8-4-17(14-26)5-9-18)31-23(24-29-12-13-32(22)24)28-11-10-20-15-33-25(27)30-20/h2-9,12-13,15H,10-11H2,1H3,(H2,27,30)(H,28,31).
What are the key properties of 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile has a molecular weight of 451.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118645871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).