3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide

C18H20F3N5O4 — CID 151247586

IUPAC3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N[C@@H](C)CO)n1
InChIInChI=1S/C18H20F3N5O4/c1-8-3-4-10(17(30,16(23)29)18(19,20)21)5-11(8)12-6-24-14(22)13(26-12)15(28)25-9(2)7-27/h3-6,9,27,30H,7H2,1-2H3,(H2,22,24)(H2,23,29)(H,25,28)/t9-,17?/m0/s1
InChIKeyNRQCZBMMSUNIJX-WFVOFKTRSA-N
MW427.38 g/mol
LogP0.38
Rot. Bonds6

About 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide

3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide (PubChem CID 151247586) has the molecular formula C18H20F3N5O4 and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
PubChem CID151247586
Molecular FormulaC18H20F3N5O4
Molecular Weight427.38 g/mol
Exact Mass427.15
IUPAC Name3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N[C@@H](C)CO)n1
InChIInChI=1S/C18H20F3N5O4/c1-8-3-4-10(17(30,16(23)29)18(19,20)21)5-11(8)12-6-24-14(22)13(26-12)15(28)25-9(2)7-27/h3-6,9,27,30H,7H2,1-2H3,(H2,22,24)(H2,23,29)(H,25,28)/t9-,17?/m0/s1
InChIKeyNRQCZBMMSUNIJX-WFVOFKTRSA-N
XLogP0.38
TPSA164.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 50.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-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 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide (CID 151247586) is 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N[C@@H](C)CO)n1.
What is the InChIKey of 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is NRQCZBMMSUNIJX-WFVOFKTRSA-N. The full InChI is InChI=1S/C18H20F3N5O4/c1-8-3-4-10(17(30,16(23)29)18(19,20)21)5-11(8)12-6-24-14(22)13(26-12)15(28)25-9(2)7-27/h3-6,9,27,30H,7H2,1-2H3,(H2,22,24)(H2,23,29)(H,25,28)/t9-,17?/m0/s1.
What are the key properties of 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide?
3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 427.38 g/mol, XLogP of 0.38, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 151247586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).