4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid

C22H24FN3O5 — CID 175023467

IUPAC4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid
SMILESCOc1ccnc(C(=O)NC(C)(C(=O)O)C(C)C(C)n2ccc3cc(F)ccc32)c1O
InChIInChI=1S/C22H24FN3O5/c1-12(13(2)26-10-8-14-11-15(23)5-6-16(14)26)22(3,21(29)30)25-20(28)18-19(27)17(31-4)7-9-24-18/h5-13,27H,1-4H3,(H,25,28)(H,29,30)
InChIKeyDJLZSRMWBBOKLA-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.36
Rot. Bonds7

About 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid

4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid (PubChem CID 175023467) has the molecular formula C22H24FN3O5 and a molecular weight of 429.45 g/mol. Its IUPAC name is 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid.

Molecular Properties

Compound Name4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid
PubChem CID175023467
Molecular FormulaC22H24FN3O5
Molecular Weight429.45 g/mol
Exact Mass429.17
IUPAC Name4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid
SMILESCOc1ccnc(C(=O)NC(C)(C(=O)O)C(C)C(C)n2ccc3cc(F)ccc32)c1O
InChIInChI=1S/C22H24FN3O5/c1-12(13(2)26-10-8-14-11-15(23)5-6-16(14)26)22(3,21(29)30)25-20(28)18-19(27)17(31-4)7-9-24-18/h5-13,27H,1-4H3,(H,25,28)(H,29,30)
InChIKeyDJLZSRMWBBOKLA-UHFFFAOYSA-N
XLogP3.36
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic 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

4-(4-bromo-7-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid
CID 175021509
(2S)-4-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid
CID 172830689
(3S,4S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]-4-(4-fluoro-2-methylphenyl)-2,3,5-trimethylhexanoic acid
CID 170154925
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
N-[(2S)-1-[(2S,3S)-3-(4-fluorophenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 174041063
[(2R,3R)-3-(4-fluorophenyl)butan-2-yl] (2R)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 139472781
[(2R,3R)-3-(4-fluoro-2-methoxyphenyl)butan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 139473130
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
[(1R,2S)-1-(4-fluoro-2-methoxyphenyl)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121463585
1-(2-chloro-4-fluorophenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 145115749
1-(4-fluoro-2-phenoxyphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 155148765
[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] 3,3,3-trifluoro-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121463840

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid?
The IUPAC name of 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid (CID 175023467) is 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid.
What is the SMILES notation for 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid?
The canonical SMILES for 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid is COc1ccnc(C(=O)NC(C)(C(=O)O)C(C)C(C)n2ccc3cc(F)ccc32)c1O.
What is the InChIKey of 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid?
The InChIKey is DJLZSRMWBBOKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5/c1-12(13(2)26-10-8-14-11-15(23)5-6-16(14)26)22(3,21(29)30)25-20(28)18-19(27)17(31-4)7-9-24-18/h5-13,27H,1-4H3,(H,25,28)(H,29,30).
What are the key properties of 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid?
4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid has a molecular weight of 429.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoroindol-1-yl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid is sourced from PubChem (CID 175023467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).