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

C20H15F6N5O2 — CID 151435528

IUPAC2-[3-[5-amino-6-[6-(trifluoromethyl)-3-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(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C20H15F6N5O2/c1-9-2-4-11(18(33,17(28)32)20(24,25)26)6-12(9)13-8-30-16(27)15(31-13)10-3-5-14(29-7-10)19(21,22)23/h2-8,33H,1H3,(H2,27,30)(H2,28,32)
InChIKeyPDKKIJQYLGXTLL-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.35
Rot. Bonds4

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

2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 151435528) has the molecular formula C20H15F6N5O2 and a molecular weight of 471.36 g/mol. Its IUPAC name is 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID151435528
Molecular FormulaC20H15F6N5O2
Molecular Weight471.36 g/mol
Exact Mass471.11
IUPAC Name2-[3-[5-amino-6-[6-(trifluoromethyl)-3-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(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C20H15F6N5O2/c1-9-2-4-11(18(33,17(28)32)20(24,25)26)6-12(9)13-8-30-16(27)15(31-13)10-3-5-14(29-7-10)19(21,22)23/h2-8,33H,1H3,(H2,27,30)(H2,28,32)
InChIKeyPDKKIJQYLGXTLL-UHFFFAOYSA-N
XLogP3.35
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]benzoic acid
CID 124191958
4'-(5-Aminopyrazin-2-yl)-3'-fluoro-4-(trifluoromethyl)biphenyl-2-carboxylic acid
CID 90313214
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 128
CID 138561669
US10738057, Example 120
CID 138562071
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 151435528) is 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-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(-c2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is PDKKIJQYLGXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N5O2/c1-9-2-4-11(18(33,17(28)32)20(24,25)26)6-12(9)13-8-30-16(27)15(31-13)10-3-5-14(29-7-10)19(21,22)23/h2-8,33H,1H3,(H2,27,30)(H2,28,32).
What are the key properties of 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 471.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 151435528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).