N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C103H102F11IN12O4 — CID 157386453

IUPACN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C26H23F6N3O.C26H26F3N3O.C26H27FIN3O.C25H26FN3O/c27-16-9-7-15(8-10-16)19-13-33-26(18(34-19)11-6-14-4-2-1-3-5-14)35-20(36)12-17-21(28)23(30)25(32)24(31)22(17)29;27-20-10-8-19(9-11-20)24-16-30-26(23(31-24)13-7-17-4-2-1-3-5-17)32-25(33)15-18-6-12-21(28)22(29)14-18;27-21-11-9-20(10-12-21)24-17-29-26(23(30-24)15-8-18-4-2-1-3-5-18)31-25(32)16-19-6-13-22(28)14-7-19;26-21-14-12-19(13-15-21)23-17-27-24(29-25(30)20-9-5-2-6-10-20)22(28-23)16-11-18-7-3-1-4-8-18/h7-10,13-14H,1-6,11-12H2,(H,33,35,36);6,8-12,14,16-17H,1-5,7,13,15H2,(H,30,32,33);6-7,9-14,17-18H,1-5,8,15-16H2,(H,29,31,32);2,5-6,9-10,12-15,17-18H,1,3-4,7-8,11,16H2,(H,27,29,30)
InChIKeyBLMKJBAUWMFEMB-UHFFFAOYSA-N
MW1907.91 g/mol
LogP25.56
Rot. Bonds27

About N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 157386453) has the molecular formula C103H102F11IN12O4 and a molecular weight of 1907.91 g/mol. Its IUPAC name is N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID157386453
Molecular FormulaC103H102F11IN12O4
Molecular Weight1907.91 g/mol
Exact Mass1906.70
IUPAC NameN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C26H23F6N3O.C26H26F3N3O.C26H27FIN3O.C25H26FN3O/c27-16-9-7-15(8-10-16)19-13-33-26(18(34-19)11-6-14-4-2-1-3-5-14)35-20(36)12-17-21(28)23(30)25(32)24(31)22(17)29;27-20-10-8-19(9-11-20)24-16-30-26(23(31-24)13-7-17-4-2-1-3-5-17)32-25(33)15-18-6-12-21(28)22(29)14-18;27-21-11-9-20(10-12-21)24-17-29-26(23(30-24)15-8-18-4-2-1-3-5-18)31-25(32)16-19-6-13-22(28)14-7-19;26-21-14-12-19(13-15-21)23-17-27-24(29-25(30)20-9-5-2-6-10-20)22(28-23)16-11-18-7-3-1-4-8-18/h7-10,13-14H,1-6,11-12H2,(H,33,35,36);6,8-12,14,16-17H,1-5,7,13,15H2,(H,30,32,33);6-7,9-14,17-18H,1-5,8,15-16H2,(H,29,31,32);2,5-6,9-10,12-15,17-18H,1,3-4,7-8,11,16H2,(H,27,29,30)
InChIKeyBLMKJBAUWMFEMB-UHFFFAOYSA-N
XLogP25.56
TPSA219.52 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.91
LogP ≤ 525.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide with MolForge

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Related Compounds

2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
CID 66836490
US10251893, Cpd 205
CID 46927365
2-(2'-fluoro-2,4'-bipyridin-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide
CID 58447686
US10030016, Example 77
CID 68160390
US11241428, Example 21
CID 146525537
N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide
CID 118302635
N-[[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 172466393
US20240043448, Example 19a
CID 156295593
US12319655, Example 433
CID 168929262
US12319655, Example 454
CID 168929489
US12319655, Example 466
CID 168929535

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 157386453) is N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1.O=C(Nc1ncc(-c2ccc(F)cc2)nc1CCC1CCCCC1)c1ccccc1.
What is the InChIKey of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is BLMKJBAUWMFEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F6N3O.C26H26F3N3O.C26H27FIN3O.C25H26FN3O/c27-16-9-7-15(8-10-16)19-13-33-26(18(34-19)11-6-14-4-2-1-3-5-14)35-20(36)12-17-21(28)23(30)25(32)24(31)22(17)29;27-20-10-8-19(9-11-20)24-16-30-26(23(31-24)13-7-17-4-2-1-3-5-17)32-25(33)15-18-6-12-21(28)22(29)14-18;27-21-11-9-20(10-12-21)24-17-29-26(23(30-24)15-8-18-4-2-1-3-5-18)31-25(32)16-19-6-13-22(28)14-7-19;26-21-14-12-19(13-15-21)23-17-27-24(29-25(30)20-9-5-2-6-10-20)22(28-23)16-11-18-7-3-1-4-8-18/h7-10,13-14H,1-6,11-12H2,(H,33,35,36);6,8-12,14,16-17H,1-5,7,13,15H2,(H,30,32,33);6-7,9-14,17-18H,1-5,8,15-16H2,(H,29,31,32);2,5-6,9-10,12-15,17-18H,1,3-4,7-8,11,16H2,(H,27,29,30).
What are the key properties of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 1907.91 g/mol, XLogP of 25.56, 27 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 157386453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).