2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide

C130H98F7N15O5 — CID 157071669

IUPAC2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1ccccc1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23N3O.C26H16F5N3O.C26H19F2N3O.C26H21N3O.C25H19N3O/c31-26(19-17-22-12-6-2-7-13-22)30-27-24(18-16-21-10-4-1-5-11-21)29-25(20-28-27)23-14-8-3-9-15-23;27-21-17(22(28)24(30)25(31)23(21)29)13-20(35)34-26-18(12-11-15-7-3-1-4-8-15)33-19(14-32-26)16-9-5-2-6-10-16;27-21-13-11-19(15-22(21)28)16-25(32)31-26-23(14-12-18-7-3-1-4-8-18)30-24(17-29-26)20-9-5-2-6-10-20;30-25(18-21-12-6-2-7-13-21)29-26-23(17-16-20-10-4-1-5-11-20)28-24(19-27-26)22-14-8-3-9-15-22;29-25(21-14-8-3-9-15-21)28-24-22(17-16-19-10-4-1-5-11-19)27-23(18-26-24)20-12-6-2-7-13-20/h1-16,18,20H,17,19H2,(H,28,30,31);1-12,14H,13H2,(H,32,34,35);1-15,17H,16H2,(H,29,31,32);1-17,19H,18H2,(H,27,29,30);1-18H,(H,26,28,29)/b18-16+;12-11+;14-12+;2*17-16+
InChIKeyACMUVPAKPWQRGZ-DFRNZCCKSA-N
MW2083.30 g/mol
LogP28.91
Rot. Bonds30

About 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide

2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide (PubChem CID 157071669) has the molecular formula C130H98F7N15O5 and a molecular weight of 2083.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide
PubChem CID157071669
Molecular FormulaC130H98F7N15O5
Molecular Weight2083.30 g/mol
Exact Mass2081.78
IUPAC Name2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1ccccc1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23N3O.C26H16F5N3O.C26H19F2N3O.C26H21N3O.C25H19N3O/c31-26(19-17-22-12-6-2-7-13-22)30-27-24(18-16-21-10-4-1-5-11-21)29-25(20-28-27)23-14-8-3-9-15-23;27-21-17(22(28)24(30)25(31)23(21)29)13-20(35)34-26-18(12-11-15-7-3-1-4-8-15)33-19(14-32-26)16-9-5-2-6-10-16;27-21-13-11-19(15-22(21)28)16-25(32)31-26-23(14-12-18-7-3-1-4-8-18)30-24(17-29-26)20-9-5-2-6-10-20;30-25(18-21-12-6-2-7-13-21)29-26-23(17-16-20-10-4-1-5-11-20)28-24(19-27-26)22-14-8-3-9-15-22;29-25(21-14-8-3-9-15-21)28-24-22(17-16-19-10-4-1-5-11-19)27-23(18-26-24)20-12-6-2-7-13-20/h1-16,18,20H,17,19H2,(H,28,30,31);1-12,14H,13H2,(H,32,34,35);1-15,17H,16H2,(H,29,31,32);1-17,19H,18H2,(H,27,29,30);1-18H,(H,26,28,29)/b18-16+;12-11+;14-12+;2*17-16+
InChIKeyACMUVPAKPWQRGZ-DFRNZCCKSA-N
XLogP28.91
TPSA274.40 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002083.30
LogP ≤ 528.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide with MolForge

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Related Compounds

Wnt-974
CID 46926973
Gnf6231
CID 46927297
US10251893, Cpd 128
CID 46927133
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121237481
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 66836474
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
CID 66836490
US10251893, Cpd 190
CID 46927296
US10251893, Cpd 205
CID 46927365
2-(2'-fluoro-2,4'-bipyridin-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide
CID 58447686
2-(3-fluoro-4-(2-fluoropyridin-4-yl)phenyl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide
CID 58447783
US10251893, Cpd 200
CID 58447930

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide (CID 157071669) is 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide is O=C(CCc1ccccc1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Cc1ccccc1)Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1.O=C(Nc1ncc(-c2ccccc2)nc1/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide?
The InChIKey is ACMUVPAKPWQRGZ-DFRNZCCKSA-N. The full InChI is InChI=1S/C27H23N3O.C26H16F5N3O.C26H19F2N3O.C26H21N3O.C25H19N3O/c31-26(19-17-22-12-6-2-7-13-22)30-27-24(18-16-21-10-4-1-5-11-21)29-25(20-28-27)23-14-8-3-9-15-23;27-21-17(22(28)24(30)25(31)23(21)29)13-20(35)34-26-18(12-11-15-7-3-1-4-8-15)33-19(14-32-26)16-9-5-2-6-10-16;27-21-13-11-19(15-22(21)28)16-25(32)31-26-23(14-12-18-7-3-1-4-8-18)30-24(17-29-26)20-9-5-2-6-10-20;30-25(18-21-12-6-2-7-13-21)29-26-23(17-16-20-10-4-1-5-11-20)28-24(19-27-26)22-14-8-3-9-15-22;29-25(21-14-8-3-9-15-21)28-24-22(17-16-19-10-4-1-5-11-19)27-23(18-26-24)20-12-6-2-7-13-20/h1-16,18,20H,17,19H2,(H,28,30,31);1-12,14H,13H2,(H,32,34,35);1-15,17H,16H2,(H,29,31,32);1-17,19H,18H2,(H,27,29,30);1-18H,(H,26,28,29)/b18-16+;12-11+;14-12+;2*17-16+.
What are the key properties of 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide?
2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide has a molecular weight of 2083.30 g/mol, XLogP of 28.91, 30 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]benzamide;2-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;3-phenyl-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 157071669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).