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

C20H18F3N5O3 — CID 150019963

IUPAC2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]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(-c2ccnc(CO)c2)n1
InChIInChI=1S/C20H18F3N5O3/c1-10-2-3-12(19(31,18(25)30)20(21,22)23)7-14(10)15-8-27-17(24)16(28-15)11-4-5-26-13(6-11)9-29/h2-8,29,31H,9H2,1H3,(H2,24,27)(H2,25,30)
InChIKeyDFBAYEAQKINJEG-UHFFFAOYSA-N
MW433.39 g/mol
LogP1.82
Rot. Bonds5

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

2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 150019963) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID150019963
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]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(-c2ccnc(CO)c2)n1
InChIInChI=1S/C20H18F3N5O3/c1-10-2-3-12(19(31,18(25)30)20(21,22)23)7-14(10)15-8-27-17(24)16(28-15)11-4-5-26-13(6-11)9-29/h2-8,29,31H,9H2,1H3,(H2,24,27)(H2,25,30)
InChIKeyDFBAYEAQKINJEG-UHFFFAOYSA-N
XLogP1.82
TPSA148.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

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Related Compounds

US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 10
CID 138562068
US10738057, Example 255
CID 138619343
US11046658, Example 110
CID 148017736
US11046658, Example 98
CID 148590503
US11046658, Example 7
CID 149380624
US11046658, Example 69
CID 149547652
US11046658, Example 64
CID 149648297
US11046658, Example 92
CID 149886579
US11046658, Example 129++
CID 149910139

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 150019963) is 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]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(-c2ccnc(CO)c2)n1.
What is the InChIKey of 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is DFBAYEAQKINJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-10-2-3-12(19(31,18(25)30)20(21,22)23)7-14(10)15-8-27-17(24)16(28-15)11-4-5-26-13(6-11)9-29/h2-8,29,31H,9H2,1H3,(H2,24,27)(H2,25,30).
What are the key properties of 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 433.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-[2-(hydroxymethyl)-4-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 150019963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).