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

C47H39F3N10O5S2 — CID 159904456

IUPACN-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCS(=O)(=NC(=O)C(F)(F)F)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.NS(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C25H20F3N5O3S.C22H19N5O2S/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;23-30(29)22-20-24-12-19(27(20)13-18(26-22)14-4-2-1-3-5-14)15-6-8-16(9-7-15)21(28)25-17-10-11-17/h2-10,13-14,18H,11-12H2,1H3,(H,30,34);1-9,12-13,17H,10-11,23H2,(H,25,28)
InChIKeyNWJQPFKSCMBHDG-UHFFFAOYSA-N
MW945.02 g/mol
LogP7.44
Rot. Bonds10

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-(6-phenyl-8-sulfinamoylimidazo[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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[1,2-a]pyrazin-3-yl)benzamide (PubChem CID 159904456) has the molecular formula C47H39F3N10O5S2 and a molecular weight of 945.02 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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[1,2-a]pyrazin-3-yl)benzamide
PubChem CID159904456
Molecular FormulaC47H39F3N10O5S2
Molecular Weight945.02 g/mol
Exact Mass944.25
IUPAC NameN-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCS(=O)(=NC(=O)C(F)(F)F)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.NS(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C25H20F3N5O3S.C22H19N5O2S/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;23-30(29)22-20-24-12-19(27(20)13-18(26-22)14-4-2-1-3-5-14)15-6-8-16(9-7-15)21(28)25-17-10-11-17/h2-10,13-14,18H,11-12H2,1H3,(H,30,34);1-9,12-13,17H,10-11,23H2,(H,25,28)
InChIKeyNWJQPFKSCMBHDG-UHFFFAOYSA-N
XLogP7.44
TPSA208.17 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.02
LogP ≤ 57.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[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-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389612
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389615
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
(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-(methylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389900
N-Cyclopropyl-4-[8-(methylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389929
N-Cyclopropyl-4-[8-(ethylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389931
N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 53389933

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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[1,2-a]pyrazin-3-yl)benzamide (CID 159904456) is N-cyclopropyl-4-[8-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[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.NS(=O)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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The InChIKey is NWJQPFKSCMBHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3S.C22H19N5O2S/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;23-30(29)22-20-24-12-19(27(20)13-18(26-22)14-4-2-1-3-5-14)15-6-8-16(9-7-15)21(28)25-17-10-11-17/h2-10,13-14,18H,11-12H2,1H3,(H,30,34);1-9,12-13,17H,10-11,23H2,(H,25,28).
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-(6-phenyl-8-sulfinamoylimidazo[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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[1,2-a]pyrazin-3-yl)benzamide has a molecular weight of 945.02 g/mol, XLogP of 7.44, 10 rotatable bonds, 3 hydrogen bond donors, and 11 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;N-cyclopropyl-4-(6-phenyl-8-sulfinamoylimidazo[1,2-a]pyrazin-3-yl)benzamide is sourced from PubChem (CID 159904456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).