N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

C72H57F9N12O6S3 — CID 159124230

IUPACN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1.O=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1.O=C(NC1CC1)c1ccc(-c2cnc3c(SCC(F)(F)F)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C24H19F3N4O3S.C24H19F3N4O2S.C24H19F3N4OS/c25-24(26,27)14-35(33,34)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18;25-24(26,27)14-34(33)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18;25-24(26,27)14-33-23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32);1-9,12-13,18H,10-11,14H2,(H,29,32);1-9,12-13,18H,10-11,14H2,(H,29,32)
InChIKeyKGBTXXYSGKJPPB-UHFFFAOYSA-N
MW1453.51 g/mol
LogP14.53
Rot. Bonds18

About N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 159124230) has the molecular formula C72H57F9N12O6S3 and a molecular weight of 1453.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID159124230
Molecular FormulaC72H57F9N12O6S3
Molecular Weight1453.51 g/mol
Exact Mass1452.35
IUPAC NameN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1.O=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1.O=C(NC1CC1)c1ccc(-c2cnc3c(SCC(F)(F)F)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C24H19F3N4O3S.C24H19F3N4O2S.C24H19F3N4OS/c25-24(26,27)14-35(33,34)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18;25-24(26,27)14-34(33)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18;25-24(26,27)14-33-23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32);1-9,12-13,18H,10-11,14H2,(H,29,32);1-9,12-13,18H,10-11,14H2,(H,29,32)
InChIKeyKGBTXXYSGKJPPB-UHFFFAOYSA-N
XLogP14.53
TPSA229.08 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.51
LogP ≤ 514.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide with MolForge

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Related Compounds

N-cyclopropyl-4-(6-phenyl-8-propan-2-ylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 53389611
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389635
N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389728
N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389730
N-cyclopropyl-4-[8-(4-hydroxybutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389785
(RS) N-cyclopropyl-4-{8-[S-methyl-N-(trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl}benzamide
CID 53389842
N-Cyclopropyl-4-[8-(methylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389929
N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 53389933
N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 53389973
4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide
CID 53389976
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53390014

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 159124230) is N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1.O=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1.O=C(NC1CC1)c1ccc(-c2cnc3c(SCC(F)(F)F)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is KGBTXXYSGKJPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S.C24H19F3N4O2S.C24H19F3N4OS/c25-24(26,27)14-35(33,34)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18;25-24(26,27)14-34(33)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18;25-24(26,27)14-33-23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32);1-9,12-13,18H,10-11,14H2,(H,29,32);1-9,12-13,18H,10-11,14H2,(H,29,32).
What are the key properties of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 1453.51 g/mol, XLogP of 14.53, 18 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfanyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 159124230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).