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

C24H21N5O3S — CID 90157710

IUPAC2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCNC(=O)c1cn2c(-c3ccc(S(=O)(=O)C(C)C)cc3)c(-c3ccc(C#N)cc3)nc2cn1
InChIInChI=1S/C24H21N5O3S/c1-15(2)33(31,32)19-10-8-18(9-11-19)23-22(17-6-4-16(12-25)5-7-17)28-21-13-27-20(14-29(21)23)24(30)26-3/h4-11,13-15H,1-3H3,(H,26,30)
InChIKeyLJTOWIFRHRTBBN-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.48
Rot. Bonds5

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

2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157710) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157710
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCNC(=O)c1cn2c(-c3ccc(S(=O)(=O)C(C)C)cc3)c(-c3ccc(C#N)cc3)nc2cn1
InChIInChI=1S/C24H21N5O3S/c1-15(2)33(31,32)19-10-8-18(9-11-19)23-22(17-6-4-16(12-25)5-7-17)28-21-13-27-20(14-29(21)23)24(30)26-3/h4-11,13-15H,1-3H3,(H,26,30)
InChIKeyLJTOWIFRHRTBBN-UHFFFAOYSA-N
XLogP3.48
TPSA117.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-cyanophenyl)-8-methoxy-N-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 144997084
N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157403
4-[(1S)-1-bromoethyl]sulfonylbenzonitrile
CID 69495064
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 118645877
4-[4-(4-propan-2-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46490464
N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157374
N-(4-cyanophenyl)-3-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 74766791
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
CID 141483083
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 66612711
4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide
CID 45111454
2-[1-(4-methylphenyl)sulfonylethyl]pyrimidine-5-carbonitrile
CID 123801762

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157710) is 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide is CNC(=O)c1cn2c(-c3ccc(S(=O)(=O)C(C)C)cc3)c(-c3ccc(C#N)cc3)nc2cn1.
What is the InChIKey of 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is LJTOWIFRHRTBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-15(2)33(31,32)19-10-8-18(9-11-19)23-22(17-6-4-16(12-25)5-7-17)28-21-13-27-20(14-29(21)23)24(30)26-3/h4-11,13-15H,1-3H3,(H,26,30).
What are the key properties of 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-methyl-3-(4-propan-2-ylsulfonylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).