2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C23H23F3N4O2 — CID 150845811

IUPAC2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(-c2cccc(C(C)C)c2)n1
InChIInChI=1S/C23H23F3N4O2/c1-12(2)14-5-4-6-15(9-14)19-20(27)29-11-18(30-19)17-10-16(8-7-13(17)3)22(32,21(28)31)23(24,25)26/h4-12,32H,1-3H3,(H2,27,29)(H2,28,31)
InChIKeyKOYXRJCUFCARGG-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.06
Rot. Bonds5

About 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 150845811) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID150845811
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(-c2cccc(C(C)C)c2)n1
InChIInChI=1S/C23H23F3N4O2/c1-12(2)14-5-4-6-15(9-14)19-20(27)29-11-18(30-19)17-10-16(8-7-13(17)3)22(32,21(28)31)23(24,25)26/h4-12,32H,1-3H3,(H2,27,29)(H2,28,31)
InChIKeyKOYXRJCUFCARGG-UHFFFAOYSA-N
XLogP4.06
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 150845811) is 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(-c2cccc(C(C)C)c2)n1.
What is the InChIKey of 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is KOYXRJCUFCARGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-12(2)14-5-4-6-15(9-14)19-20(27)29-11-18(30-19)17-10-16(8-7-13(17)3)22(32,21(28)31)23(24,25)26/h4-12,32H,1-3H3,(H2,27,29)(H2,28,31).
What are the key properties of 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 444.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 150845811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).