(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide

C119H103F31N34O18 — CID 158846765

IUPAC(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide
SMILESC[C@@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(C(F)(F)F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C(N)=O)nc1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cnc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cncn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C16H12F6N4O2.C16H13F4N3O2.C16H18F3N3O3.C15H11F6N5O2.C15H12F4N4O2.C14H11F4N5O2.C14H12F3N5O2.C13H14FN5O3/c1-14(28,8-26-7-10(6-24-26)15(17,18)19)13(27)25-11-3-2-9(5-23)12(4-11)16(20,21)22;1-15(25,9-23-5-4-11(17)8-23)14(24)22-12-3-2-10(7-21)13(6-12)16(18,19)20;1-15(24,10-22-4-6-25-7-5-22)14(23)21-12-3-2-11(9-20)13(8-12)16(17,18)19;1-13(28,6-26-7-23-11(25-26)15(19,20)21)12(27)24-9-3-2-8(5-22)10(4-9)14(16,17)18;1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19;1-13(25,7-23-6-8(15)4-21-23)12(24)22-9-2-10(14(16,17)18)11(3-19)20-5-9;1-13(24,6-22-8-19-7-20-22)12(23)21-10-3-2-9(5-18)11(4-10)14(15,16)17;1-13(22,7-19-6-8(14)4-17-19)12(21)18-9-2-3-10(11(15)20)16-5-9/h2-4,6-7,28H,8H2,1H3,(H,25,27);2-6,8,25H,9H2,1H3,(H,22,24);2-3,8,24H,4-7,10H2,1H3,(H,21,23);2-4,7,28H,6H2,1H3,(H,24,27);2-4,6-7,25H,8H2,1H3,(H,22,24);2,4-6,25H,7H2,1H3,(H,22,24);2-4,7-8,24H,6H2,1H3,(H,21,23);2-6,22H,7H2,1H3,(H2,15,20)(H,18,21)/t14-;2*15-;13-;14-;3*13-/m00001000/s1
InChIKeyIYXUAMVSLZAVNE-DBTBJWBTSA-N
MW2886.29 g/mol
LogP15.73
Rot. Bonds33

About (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide

(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide (PubChem CID 158846765) has the molecular formula C119H103F31N34O18 and a molecular weight of 2886.29 g/mol. Its IUPAC name is (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide
PubChem CID158846765
Molecular FormulaC119H103F31N34O18
Molecular Weight2886.29 g/mol
Exact Mass2884.77
IUPAC Name(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide
SMILESC[C@@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(C(F)(F)F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C(N)=O)nc1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cnc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cncn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C16H12F6N4O2.C16H13F4N3O2.C16H18F3N3O3.C15H11F6N5O2.C15H12F4N4O2.C14H11F4N5O2.C14H12F3N5O2.C13H14FN5O3/c1-14(28,8-26-7-10(6-24-26)15(17,18)19)13(27)25-11-3-2-9(5-23)12(4-11)16(20,21)22;1-15(25,9-23-5-4-11(17)8-23)14(24)22-12-3-2-10(7-21)13(6-12)16(18,19)20;1-15(24,10-22-4-6-25-7-5-22)14(23)21-12-3-2-11(9-20)13(8-12)16(17,18)19;1-13(28,6-26-7-23-11(25-26)15(19,20)21)12(27)24-9-3-2-8(5-22)10(4-9)14(16,17)18;1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19;1-13(25,7-23-6-8(15)4-21-23)12(24)22-9-2-10(14(16,17)18)11(3-19)20-5-9;1-13(24,6-22-8-19-7-20-22)12(23)21-10-3-2-9(5-18)11(4-10)14(15,16)17;1-13(22,7-19-6-8(14)4-17-19)12(21)18-9-2-3-10(11(15)20)16-5-9/h2-4,6-7,28H,8H2,1H3,(H,25,27);2-6,8,25H,9H2,1H3,(H,22,24);2-3,8,24H,4-7,10H2,1H3,(H,21,23);2-4,7,28H,6H2,1H3,(H,24,27);2-4,6-7,25H,8H2,1H3,(H,22,24);2,4-6,25H,7H2,1H3,(H,22,24);2-4,7-8,24H,6H2,1H3,(H,21,23);2-6,22H,7H2,1H3,(H2,15,20)(H,18,21)/t14-;2*15-;13-;14-;3*13-/m00001000/s1
InChIKeyIYXUAMVSLZAVNE-DBTBJWBTSA-N
XLogP15.73
TPSA780.14 Ų
H-Bond Donors17
H-Bond Acceptors43
Rotatable Bonds33
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002886.29
LogP ≤ 515.73
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1043

Analyze (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide (CID 158846765) is (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide is C[C@@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(C(F)(F)F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C(N)=O)nc1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cnc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cncn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide?
The InChIKey is IYXUAMVSLZAVNE-DBTBJWBTSA-N. The full InChI is InChI=1S/C16H12F6N4O2.C16H13F4N3O2.C16H18F3N3O3.C15H11F6N5O2.C15H12F4N4O2.C14H11F4N5O2.C14H12F3N5O2.C13H14FN5O3/c1-14(28,8-26-7-10(6-24-26)15(17,18)19)13(27)25-11-3-2-9(5-23)12(4-11)16(20,21)22;1-15(25,9-23-5-4-11(17)8-23)14(24)22-12-3-2-10(7-21)13(6-12)16(18,19)20;1-15(24,10-22-4-6-25-7-5-22)14(23)21-12-3-2-11(9-20)13(8-12)16(17,18)19;1-13(28,6-26-7-23-11(25-26)15(19,20)21)12(27)24-9-3-2-8(5-22)10(4-9)14(16,17)18;1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19;1-13(25,7-23-6-8(15)4-21-23)12(24)22-9-2-10(14(16,17)18)11(3-19)20-5-9;1-13(24,6-22-8-19-7-20-22)12(23)21-10-3-2-9(5-18)11(4-10)14(15,16)17;1-13(22,7-19-6-8(14)4-17-19)12(21)18-9-2-3-10(11(15)20)16-5-9/h2-4,6-7,28H,8H2,1H3,(H,25,27);2-6,8,25H,9H2,1H3,(H,22,24);2-3,8,24H,4-7,10H2,1H3,(H,21,23);2-4,7,28H,6H2,1H3,(H,24,27);2-4,6-7,25H,8H2,1H3,(H,22,24);2,4-6,25H,7H2,1H3,(H,22,24);2-4,7-8,24H,6H2,1H3,(H,21,23);2-6,22H,7H2,1H3,(H2,15,20)(H,18,21)/t14-;2*15-;13-;14-;3*13-/m00001000/s1.
What are the key properties of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide?
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide has a molecular weight of 2886.29 g/mol, XLogP of 15.73, 33 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 158846765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).