5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid

C24H25F5N4O5 — CID 122514855

IUPAC5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESC[C@H]1[C@H](F)C[C@@H](N(C=O)Cc2cc(-c3cnc(C(F)(F)F)c(C(=O)O)c3)ncc2F)N1C(=O)OC(C)(C)C
InChIInChI=1S/C24H25F5N4O5/c1-12-16(25)7-19(33(12)22(37)38-23(2,3)4)32(11-34)10-14-6-18(30-9-17(14)26)13-5-15(21(35)36)20(31-8-13)24(27,28)29/h5-6,8-9,11-12,16,19H,7,10H2,1-4H3,(H,35,36)/t12-,16+,19-/m0/s1
InChIKeyAYMCGIBZNXAZEB-MOFZMDFASA-N
MW544.48 g/mol
LogP4.65
Rot. Bonds6

About 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid

5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 122514855) has the molecular formula C24H25F5N4O5 and a molecular weight of 544.48 g/mol. Its IUPAC name is 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID122514855
Molecular FormulaC24H25F5N4O5
Molecular Weight544.48 g/mol
Exact Mass544.17
IUPAC Name5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESC[C@H]1[C@H](F)C[C@@H](N(C=O)Cc2cc(-c3cnc(C(F)(F)F)c(C(=O)O)c3)ncc2F)N1C(=O)OC(C)(C)C
InChIInChI=1S/C24H25F5N4O5/c1-12-16(25)7-19(33(12)22(37)38-23(2,3)4)32(11-34)10-14-6-18(30-9-17(14)26)13-5-15(21(35)36)20(31-8-13)24(27,28)29/h5-6,8-9,11-12,16,19H,7,10H2,1-4H3,(H,35,36)/t12-,16+,19-/m0/s1
InChIKeyAYMCGIBZNXAZEB-MOFZMDFASA-N
XLogP4.65
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid (CID 122514855) is 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid is C[C@H]1[C@H](F)C[C@@H](N(C=O)Cc2cc(-c3cnc(C(F)(F)F)c(C(=O)O)c3)ncc2F)N1C(=O)OC(C)(C)C.
What is the InChIKey of 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is AYMCGIBZNXAZEB-MOFZMDFASA-N. The full InChI is InChI=1S/C24H25F5N4O5/c1-12-16(25)7-19(33(12)22(37)38-23(2,3)4)32(11-34)10-14-6-18(30-9-17(14)26)13-5-15(21(35)36)20(31-8-13)24(27,28)29/h5-6,8-9,11-12,16,19H,7,10H2,1-4H3,(H,35,36)/t12-,16+,19-/m0/s1.
What are the key properties of 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid?
5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 544.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-4-[[[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-formylamino]methyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 122514855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).