2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C19H16F6N6O2 — CID 150080925

IUPAC2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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(-c2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C19H16F6N6O2/c1-9-2-3-11(18(33,16(27)32)19(23,24)25)4-12(9)13-6-28-15(26)14(30-13)10-5-29-31(7-10)8-17(20,21)22/h2-7,33H,8H2,1H3,(H2,26,28)(H2,27,32)
InChIKeyDRGCKTHIZKYCHE-UHFFFAOYSA-N
MW474.37 g/mol
LogP2.70
Rot. Bonds5

About 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 150080925) has the molecular formula C19H16F6N6O2 and a molecular weight of 474.37 g/mol. Its IUPAC name is 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID150080925
Molecular FormulaC19H16F6N6O2
Molecular Weight474.37 g/mol
Exact Mass474.12
IUPAC Name2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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(-c2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C19H16F6N6O2/c1-9-2-3-11(18(33,16(27)32)19(23,24)25)4-12(9)13-6-28-15(26)14(30-13)10-5-29-31(7-10)8-17(20,21)22/h2-7,33H,8H2,1H3,(H2,26,28)(H2,27,32)
InChIKeyDRGCKTHIZKYCHE-UHFFFAOYSA-N
XLogP2.70
TPSA132.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

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Related Compounds

N-(6-(2-hydroxypropan-2-yl)-2-phenylpyridin-3-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393469
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 255
CID 138619343
US11046658, Example 107
CID 147233579
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 106++
CID 149732112

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 150080925) is 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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(-c2cnn(CC(F)(F)F)c2)n1.
What is the InChIKey of 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is DRGCKTHIZKYCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N6O2/c1-9-2-3-11(18(33,16(27)32)19(23,24)25)4-12(9)13-6-28-15(26)14(30-13)10-5-29-31(7-10)8-17(20,21)22/h2-7,33H,8H2,1H3,(H2,26,28)(H2,27,32).
What are the key properties of 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 474.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 150080925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).