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

C20H18F3N5O2 — CID 150801951

IUPAC2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1
InChIInChI=1S/C20H18F3N5O2/c1-10-3-6-13(19(30,18(25)29)20(21,22)23)7-14(10)15-9-27-17(24)16(28-15)12-5-4-11(2)26-8-12/h3-9,30H,1-2H3,(H2,24,27)(H2,25,29)
InChIKeyKGAZFNCJVLSBBH-UHFFFAOYSA-N
MW417.39 g/mol
LogP2.64
Rot. Bonds4

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

2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 150801951) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID150801951
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1
InChIInChI=1S/C20H18F3N5O2/c1-10-3-6-13(19(30,18(25)29)20(21,22)23)7-14(10)15-9-27-17(24)16(28-15)12-5-4-11(2)26-8-12/h3-9,30H,1-2H3,(H2,24,27)(H2,25,29)
InChIKeyKGAZFNCJVLSBBH-UHFFFAOYSA-N
XLogP2.64
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]benzoic acid
CID 124191958
(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1-carboxamide
CID 71003470
6-[3-amino-6-[4-(2-hydroxypropan-2-yl)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 123926600
US10738057, Example 169
CID 138561173
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 77
CID 138561656
US10738057, Example 128
CID 138561669
US10738057, Example 255
CID 138619343
US11046658, Example 110
CID 148017736
US11046658, Example 98
CID 148590503

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 150801951) is 2-[3-[5-amino-6-(6-methyl-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-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1.
What is the InChIKey of 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is KGAZFNCJVLSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-10-3-6-13(19(30,18(25)29)20(21,22)23)7-14(10)15-9-27-17(24)16(28-15)12-5-4-11(2)26-8-12/h3-9,30H,1-2H3,(H2,24,27)(H2,25,29).
What are the key properties of 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 417.39 g/mol, XLogP of 2.64, 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-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 150801951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).