2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C105H86F7IN12O10 — CID 157220651

IUPAC2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F.CC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)c1ccccc1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1
InChIInChI=1S/C27H20F5N3O2.C26H21F2N3O3.C26H22IN3O3.C26H23N3O2/c1-14(16-5-3-2-4-6-16)26-27(33-12-19(34-26)17-9-7-15(13-36)8-10-17)35-20(37)11-18-21(28)23(30)25(32)24(31)22(18)29;27-20-11-8-17(12-21(20)28)13-23(33)31-26-24(25(34)19-4-2-1-3-5-19)30-22(14-29-26)18-9-6-16(15-32)7-10-18;27-21-12-8-17(9-13-21)14-23(32)30-26-24(25(33)20-4-2-1-3-5-20)29-22(15-28-26)19-10-6-18(16-31)7-11-19;1-18(20-8-4-2-5-9-20)24-25(29-26(31)22-10-6-3-7-11-22)27-16-23(28-24)21-14-12-19(17-30)13-15-21/h2-10,12,14,36H,11,13H2,1H3,(H,33,35,37);1-12,14,25,32,34H,13,15H2,(H,29,31,33);1-13,15,25,31,33H,14,16H2,(H,28,30,32);2-16,18,30H,17H2,1H3,(H,27,29,31)
InChIKeyASYIGBBKGLVCOF-UHFFFAOYSA-N
MW1935.81 g/mol
LogP19.38
Rot. Bonds27

About 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 157220651) has the molecular formula C105H86F7IN12O10 and a molecular weight of 1935.81 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID157220651
Molecular FormulaC105H86F7IN12O10
Molecular Weight1935.81 g/mol
Exact Mass1934.55
IUPAC Name2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F.CC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)c1ccccc1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1
InChIInChI=1S/C27H20F5N3O2.C26H21F2N3O3.C26H22IN3O3.C26H23N3O2/c1-14(16-5-3-2-4-6-16)26-27(33-12-19(34-26)17-9-7-15(13-36)8-10-17)35-20(37)11-18-21(28)23(30)25(32)24(31)22(18)29;27-20-11-8-17(12-21(20)28)13-23(33)31-26-24(25(34)19-4-2-1-3-5-19)30-22(14-29-26)18-9-6-16(15-32)7-10-18;27-21-12-8-17(9-13-21)14-23(32)30-26-24(25(33)20-4-2-1-3-5-20)29-22(15-28-26)19-10-6-18(16-31)7-11-19;1-18(20-8-4-2-5-9-20)24-25(29-26(31)22-10-6-3-7-11-22)27-16-23(28-24)21-14-12-19(17-30)13-15-21/h2-10,12,14,36H,11,13H2,1H3,(H,33,35,37);1-12,14,25,32,34H,13,15H2,(H,29,31,33);1-13,15,25,31,33H,14,16H2,(H,28,30,32);2-16,18,30H,17H2,1H3,(H,27,29,31)
InChIKeyASYIGBBKGLVCOF-UHFFFAOYSA-N
XLogP19.38
TPSA340.90 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.81
LogP ≤ 519.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

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 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide with MolForge

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Related Compounds

N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]benzamide
CID 68399211
N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 68399212
2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide
CID 123374720
2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide
CID 123478538
[4-[5-[2-[6-amino-5-[6-[[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-hydroxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-3-pyridinyl]ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 123732914
N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123825608
N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001152
3-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 158025932
4-[3-amino-6-[(1S,4S)-4-benzoyloxy-3,3-difluorocyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol;4-[3-amino-6-[(1S,4S)-3,3-difluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]benzamide;[(1S,4S)-4-[5-amino-6-[3-fluoro-4-[[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]carbamoyl]phenyl]pyrazin-2-yl]-2,2-difluorocyclohexyl] benzoate;tert-butyl 4-[6-[(1S,4S)-4-benzoyloxy-3,3-difluorocyclohexyl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-2-fluorobenzoate
CID 158311999
1-[4-(difluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(hydroxymethyl)-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159488544
4-[3-amino-6-[(1S,4S)-3,3-difluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]benzamide;[(1S,4S)-4-[5-amino-6-[3-fluoro-4-[[(1S)-1-(3-fluoro-5-methylphenyl)-2-hydroxyethyl]carbamoyl]phenyl]pyrazin-2-yl]-2,2-difluorocyclohexyl] benzoate
CID 160130782
4-[3-amino-6-[(1S,4S)-3,3-difluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]benzamide;4-[3-amino-6-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]benzamide;4-[3-amino-6-[(1S,3S,4S)-3,4-dihydroxycyclohexyl]pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]benzamide;4-[3-amino-6-[(1S,3R)-3-hydroxycyclopentyl]pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]benzamide
CID 160163093

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 157220651) is 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is CC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F.CC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)c1ccccc1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is ASYIGBBKGLVCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F5N3O2.C26H21F2N3O3.C26H22IN3O3.C26H23N3O2/c1-14(16-5-3-2-4-6-16)26-27(33-12-19(34-26)17-9-7-15(13-36)8-10-17)35-20(37)11-18-21(28)23(30)25(32)24(31)22(18)29;27-20-11-8-17(12-21(20)28)13-23(33)31-26-24(25(34)19-4-2-1-3-5-19)30-22(14-29-26)18-9-6-16(15-32)7-10-18;27-21-12-8-17(9-13-21)14-23(32)30-26-24(25(33)20-4-2-1-3-5-20)29-22(15-28-26)19-10-6-18(16-31)7-11-19;1-18(20-8-4-2-5-9-20)24-25(29-26(31)22-10-6-3-7-11-22)27-16-23(28-24)21-14-12-19(17-30)13-15-21/h2-10,12,14,36H,11,13H2,1H3,(H,33,35,37);1-12,14,25,32,34H,13,15H2,(H,29,31,33);1-13,15,25,31,33H,14,16H2,(H,28,30,32);2-16,18,30H,17H2,1H3,(H,27,29,31).
What are the key properties of 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 1935.81 g/mol, XLogP of 19.38, 27 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]benzamide;N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 157220651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).