N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C23H18N6O2 — CID 74767351

IUPACN-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1
InChIInChI=1S/C23H18N6O2/c1-25-22(30)17-7-5-16(6-8-17)20-12-27-21-13-26-19(14-29(20)21)23(31)28(2)18-9-3-15(11-24)4-10-18/h3-10,12-14H,1-2H3,(H,25,30)
InChIKeySVIYAQDUUGCJJB-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.90
Rot. Bonds4

About N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 74767351) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID74767351
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1
InChIInChI=1S/C23H18N6O2/c1-25-22(30)17-7-5-16(6-8-17)20-12-27-21-13-26-19(14-29(20)21)23(31)28(2)18-9-3-15(11-24)4-10-18/h3-10,12-14H,1-2H3,(H,25,30)
InChIKeySVIYAQDUUGCJJB-UHFFFAOYSA-N
XLogP2.90
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 74767351) is N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is SVIYAQDUUGCJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-25-22(30)17-7-5-16(6-8-17)20-12-27-21-13-26-19(14-29(20)21)23(31)28(2)18-9-3-15(11-24)4-10-18/h3-10,12-14H,1-2H3,(H,25,30).
What are the key properties of N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 74767351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).