6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid

C17H16F3N5O5 — CID 171557285

IUPAC6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2C[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)nc1
InChIInChI=1S/C17H16F3N5O5/c18-17(19,20)12-4-21-5-13(24-12)23-10-6-25(7-11(26)14(10)27)15(28)9-2-1-8(3-22-9)16(29)30/h1-5,10-11,14,26-27H,6-7H2,(H,23,24)(H,29,30)/t10-,11-,14+/m0/s1
InChIKeyZKMBAWJLUXQCIR-COPLHBTASA-N
MW427.34 g/mol
LogP0.25
Rot. Bonds4

About 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid

6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 171557285) has the molecular formula C17H16F3N5O5 and a molecular weight of 427.34 g/mol. Its IUPAC name is 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID171557285
Molecular FormulaC17H16F3N5O5
Molecular Weight427.34 g/mol
Exact Mass427.11
IUPAC Name6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2C[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)nc1
InChIInChI=1S/C17H16F3N5O5/c18-17(19,20)12-4-21-5-13(24-12)23-10-6-25(7-11(26)14(10)27)15(28)9-2-1-8(3-22-9)16(29)30/h1-5,10-11,14,26-27H,6-7H2,(H,23,24)(H,29,30)/t10-,11-,14+/m0/s1
InChIKeyZKMBAWJLUXQCIR-COPLHBTASA-N
XLogP0.25
TPSA148.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11377438, Example 4
CID 146525692
US11377438, Example 3
CID 146526003
4-[5-amino-6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]pyridine-2-carboxylic acid
CID 72189816
N-[(3R*,4R*)-1-(5-acetylpyridin-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70748557
[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 164639307
N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 164641380
6-[[(2S)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]pyridine-3-carboxylic acid
CID 46864734
1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334812
1-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334814
methyl 6-[[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyl]pyridine-3-carboxylate
CID 67121649
6-[[3-(Oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]pyridine-3-carboxylic acid
CID 67143711
5-[[4-[[2-(Propan-2-ylcarbamoyl)cyclopentyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxylic acid
CID 68696684

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid (CID 171557285) is 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)N2C[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)nc1.
What is the InChIKey of 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is ZKMBAWJLUXQCIR-COPLHBTASA-N. The full InChI is InChI=1S/C17H16F3N5O5/c18-17(19,20)12-4-21-5-13(24-12)23-10-6-25(7-11(26)14(10)27)15(28)9-2-1-8(3-22-9)16(29)30/h1-5,10-11,14,26-27H,6-7H2,(H,23,24)(H,29,30)/t10-,11-,14+/m0/s1.
What are the key properties of 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid?
6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 427.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 171557285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).