N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

C25H20F3N5O3S — CID 53389842

IUPACN-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCS(=O)(=NC(=O)C(F)(F)F)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C25H20F3N5O3S/c1-37(36,32-24(35)25(26,27)28)23-21-29-13-20(33(21)14-19(31-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(34)30-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,30,34)
InChIKeyAUIYCKXTCBSVSZ-UHFFFAOYSA-N
MW527.53 g/mol
LogP4.50
Rot. Bonds5

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

N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53389842) has the molecular formula C25H20F3N5O3S and a molecular weight of 527.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID53389842
Molecular FormulaC25H20F3N5O3S
Molecular Weight527.53 g/mol
Exact Mass527.12
IUPAC NameN-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCS(=O)(=NC(=O)C(F)(F)F)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C25H20F3N5O3S/c1-37(36,32-24(35)25(26,27)28)23-21-29-13-20(33(21)14-19(31-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(34)30-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,30,34)
InChIKeyAUIYCKXTCBSVSZ-UHFFFAOYSA-N
XLogP4.50
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 53389814
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-phenyl-8-(2-sulfamoylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990733
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfinyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53390013
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
4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 118273154
N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381228
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389977

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53389842) is N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is CS(=O)(=NC(=O)C(F)(F)F)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is AUIYCKXTCBSVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3S/c1-37(36,32-24(35)25(26,27)28)23-21-29-13-20(33(21)14-19(31-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(34)30-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,30,34).
What are the key properties of N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 527.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53389842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).