N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C24H20N6O3S — CID 90157482

IUPACN-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(-c4ccn[nH]4)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H20N6O3S/c1-29(18-7-9-19(10-8-18)34(2,32)33)24(31)21-15-30-22(13-26-23(30)14-25-21)17-5-3-16(4-6-17)20-11-12-27-28-20/h3-15H,1-2H3,(H,27,28)
InChIKeyOBURQFYUDHUZNL-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157482) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157482
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC NameN-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(-c4ccn[nH]4)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H20N6O3S/c1-29(18-7-9-19(10-8-18)34(2,32)33)24(31)21-15-30-22(13-26-23(30)14-25-21)17-5-3-16(4-6-17)20-11-12-27-28-20/h3-15H,1-2H3,(H,27,28)
InChIKeyOBURQFYUDHUZNL-UHFFFAOYSA-N
XLogP3.47
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157482) is N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(-c4ccn[nH]4)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is OBURQFYUDHUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-29(18-7-9-19(10-8-18)34(2,32)33)24(31)21-15-30-22(13-26-23(30)14-25-21)17-5-3-16(4-6-17)20-11-12-27-28-20/h3-15H,1-2H3,(H,27,28).
What are the key properties of N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).