2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide

C26H22FN3O3 — CID 123374720

IUPAC2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1
InChIInChI=1S/C26H22FN3O3/c27-21-12-8-17(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/h1-13,15,25,31,33H,14,16H2,(H,28,30,32)
InChIKeyYVQNVWRFLDFFND-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.04
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide

2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide (PubChem CID 123374720) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide
PubChem CID123374720
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC Name2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1
InChIInChI=1S/C26H22FN3O3/c27-21-12-8-17(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/h1-13,15,25,31,33H,14,16H2,(H,28,30,32)
InChIKeyYVQNVWRFLDFFND-UHFFFAOYSA-N
XLogP4.04
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 448487
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CID 118045402
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 118045421
4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045595
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-(3-iodophenyl)ethyl]benzamide
CID 118045716
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-[3-(difluoromethyl)-5-fluorophenyl]-2-hydroxyethyl]-2-fluorobenzamide
CID 118046098
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-[3-(difluoromethyl)phenyl]-2-hydroxyethyl]-2-fluorobenzamide
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2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 155568609
4-[3-amino-6-(2-hydroxyethyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045210
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 118045559
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 118045839
4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide (CID 123374720) is 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide?
The InChIKey is YVQNVWRFLDFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c27-21-12-8-17(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/h1-13,15,25,31,33H,14,16H2,(H,28,30,32).
What are the key properties of 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide?
2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide has a molecular weight of 443.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 123374720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).