N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

C26H26N4O3S — CID 53389614

IUPACN-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H26N4O3S/c1-17(2)16-34(32,33)26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31)
InChIKeyWGBBYTMPHWWJGS-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.39
Rot. Bonds7

About N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53389614) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID53389614
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H26N4O3S/c1-17(2)16-34(32,33)26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31)
InChIKeyWGBBYTMPHWWJGS-UHFFFAOYSA-N
XLogP4.39
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 53389814
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389842
N-cyclopropyl-4-[6-phenyl-8-(2-sulfamoylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990733
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
CID 67972903
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
CID 67976568
N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381228
4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfinyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53390013

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53389614) is N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)CS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is WGBBYTMPHWWJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-17(2)16-34(32,33)26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 474.59 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53389614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).