6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide

C20H24F3N5O3 — CID 150321545

IUPAC6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(=O)NCC(O)(c1ccc(C)c(-c2cnc(N)c(C(=O)NC(C)C)n2)c1)C(F)(F)F
InChIInChI=1S/C20H24F3N5O3/c1-10(2)27-18(30)16-17(24)25-8-15(28-16)14-7-13(6-5-11(14)3)19(31,20(21,22)23)9-26-12(4)29/h5-8,10,31H,9H2,1-4H3,(H2,24,25)(H,26,29)(H,27,30)
InChIKeyGNSVXIGOWREOGQ-UHFFFAOYSA-N
MW439.44 g/mol
LogP2.06
Rot. Bonds6

About 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide

6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 150321545) has the molecular formula C20H24F3N5O3 and a molecular weight of 439.44 g/mol. Its IUPAC name is 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID150321545
Molecular FormulaC20H24F3N5O3
Molecular Weight439.44 g/mol
Exact Mass439.18
IUPAC Name6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(=O)NCC(O)(c1ccc(C)c(-c2cnc(N)c(C(=O)NC(C)C)n2)c1)C(F)(F)F
InChIInChI=1S/C20H24F3N5O3/c1-10(2)27-18(30)16-17(24)25-8-15(28-16)14-7-13(6-5-11(14)3)19(31,20(21,22)23)9-26-12(4)29/h5-8,10,31H,9H2,1-4H3,(H2,24,25)(H,26,29)(H,27,30)
InChIKeyGNSVXIGOWREOGQ-UHFFFAOYSA-N
XLogP2.06
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide (CID 150321545) is 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide is CC(=O)NCC(O)(c1ccc(C)c(-c2cnc(N)c(C(=O)NC(C)C)n2)c1)C(F)(F)F.
What is the InChIKey of 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is GNSVXIGOWREOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O3/c1-10(2)27-18(30)16-17(24)25-8-15(28-16)14-7-13(6-5-11(14)3)19(31,20(21,22)23)9-26-12(4)29/h5-8,10,31H,9H2,1-4H3,(H2,24,25)(H,26,29)(H,27,30).
What are the key properties of 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide?
6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-acetamido-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-3-amino-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 150321545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).