N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

C26H25N7O2 — CID 90157255

IUPACN-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1
InChIInChI=1S/C26H25N7O2/c1-31(2)13-12-28-25(34)20-8-6-19(7-9-20)23-15-30-24-16-29-22(17-33(23)24)26(35)32(3)21-10-4-18(14-27)5-11-21/h4-11,15-17H,12-13H2,1-3H3,(H,28,34)
InChIKeyAKTGLGXKTPYFPP-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.84
Rot. Bonds7

About N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157255) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157255
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1
InChIInChI=1S/C26H25N7O2/c1-31(2)13-12-28-25(34)20-8-6-19(7-9-20)23-15-30-24-16-29-22(17-33(23)24)26(35)32(3)21-10-4-18(14-27)5-11-21/h4-11,15-17H,12-13H2,1-3H3,(H,28,34)
InChIKeyAKTGLGXKTPYFPP-UHFFFAOYSA-N
XLogP2.84
TPSA106.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 90157255) is N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C)CCNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is AKTGLGXKTPYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-31(2)13-12-28-25(34)20-8-6-19(7-9-20)23-15-30-24-16-29-22(17-33(23)24)26(35)32(3)21-10-4-18(14-27)5-11-21/h4-11,15-17H,12-13H2,1-3H3,(H,28,34).
What are the key properties of N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).