4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

C24H23N5O3S — CID 53389814

IUPAC4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESNCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H23N5O3S/c25-12-13-33(31,32)24-22-26-14-21(29(22)15-20(28-24)16-4-2-1-3-5-16)17-6-8-18(9-7-17)23(30)27-19-10-11-19/h1-9,14-15,19H,10-13,25H2,(H,27,30)
InChIKeyFROUDDSNSUOWFM-UHFFFAOYSA-N
MW461.55 g/mol
LogP2.69
Rot. Bonds7

About 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 53389814) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID53389814
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESNCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H23N5O3S/c25-12-13-33(31,32)24-22-26-14-21(29(22)15-20(28-24)16-4-2-1-3-5-16)17-6-8-18(9-7-17)23(30)27-19-10-11-19/h1-9,14-15,19H,10-13,25H2,(H,27,30)
InChIKeyFROUDDSNSUOWFM-UHFFFAOYSA-N
XLogP2.69
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
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-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389842
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381228
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
CID 67976568
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfinyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53390013
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389977
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676

Frequently Asked Questions

What is the IUPAC name of 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 53389814) is 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is NCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is FROUDDSNSUOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c25-12-13-33(31,32)24-22-26-14-21(29(22)15-20(28-24)16-4-2-1-3-5-16)17-6-8-18(9-7-17)23(30)27-19-10-11-19/h1-9,14-15,19H,10-13,25H2,(H,27,30).
What are the key properties of 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 461.55 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 53389814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).