3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide

C21H24F3N5O4 — CID 156514114

IUPAC3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC2CCC(O)CC2)n1
InChIInChI=1S/C21H24F3N5O4/c1-10-2-3-11(20(33,19(26)32)21(22,23)24)8-14(10)15-9-27-17(25)16(29-15)18(31)28-12-4-6-13(30)7-5-12/h2-3,8-9,12-13,30,33H,4-7H2,1H3,(H2,25,27)(H2,26,32)(H,28,31)
InChIKeyDYRDFUVSEUEBSH-UHFFFAOYSA-N
MW467.45 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide

3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide (PubChem CID 156514114) has the molecular formula C21H24F3N5O4 and a molecular weight of 467.45 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-(4-hydroxycyclohexyl)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-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
PubChem CID156514114
Molecular FormulaC21H24F3N5O4
Molecular Weight467.45 g/mol
Exact Mass467.18
IUPAC Name3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC2CCC(O)CC2)n1
InChIInChI=1S/C21H24F3N5O4/c1-10-2-3-11(20(33,19(26)32)21(22,23)24)8-14(10)15-9-27-17(25)16(29-15)18(31)28-12-4-6-13(30)7-5-12/h2-3,8-9,12-13,30,33H,4-7H2,1H3,(H2,25,27)(H2,26,32)(H,28,31)
InChIKeyDYRDFUVSEUEBSH-UHFFFAOYSA-N
XLogP1.30
TPSA164.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 51.30
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-(4-hydroxycyclohexyl)pyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide
CID 135362975
3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyrazine-2-carboxamide
CID 156291933
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-[3-(difluoromethyl)phenyl]-2-hydroxyethyl]-2-fluorobenzamide
CID 118046538
US10738057, Example 284
CID 138562153
US10738057, Example 285
CID 138562198
US10738057, Example 85
CID 138562206
US11046658, Example 110
CID 148017736
US11046658, Example 7
CID 149380624
US11046658, Example 64
CID 149648297
US11046658, Example 106++
CID 149732112
US11046658, Example 24
CID 149856691
US11046658, Example 92
CID 149886579

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-(4-hydroxycyclohexyl)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-(4-hydroxycyclohexyl)pyrazine-2-carboxamide (CID 156514114) is 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxycyclohexyl)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-(4-hydroxycyclohexyl)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-(4-hydroxycyclohexyl)pyrazine-2-carboxamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC2CCC(O)CC2)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-(4-hydroxycyclohexyl)pyrazine-2-carboxamide?
The InChIKey is DYRDFUVSEUEBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O4/c1-10-2-3-11(20(33,19(26)32)21(22,23)24)8-14(10)15-9-27-17(25)16(29-15)18(31)28-12-4-6-13(30)7-5-12/h2-3,8-9,12-13,30,33H,4-7H2,1H3,(H2,25,27)(H2,26,32)(H,28,31).
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-(4-hydroxycyclohexyl)pyrazine-2-carboxamide?
3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 1.30, 5 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-(4-hydroxycyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156514114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).