2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid

C18H15FN4O4 — CID 162731648

IUPAC2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(-c3ccccc3)c2F)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C18H15FN4O4/c1-10-12(7-20-15(16(10)26)18(27)21-9-14(24)25)13-8-22-23(17(13)19)11-5-3-2-4-6-11/h2-8,26H,9H2,1H3,(H,21,27)(H,24,25)
InChIKeyAYOBAXHFRHMJSA-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.90
Rot. Bonds5

About 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid

2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731648) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
PubChem CID162731648
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(-c3ccccc3)c2F)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C18H15FN4O4/c1-10-12(7-20-15(16(10)26)18(27)21-9-14(24)25)13-8-22-23(17(13)19)11-5-3-2-4-6-11/h2-8,26H,9H2,1H3,(H,21,27)(H,24,25)
InChIKeyAYOBAXHFRHMJSA-UHFFFAOYSA-N
XLogP1.90
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid (CID 162731648) is 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2cnn(-c3ccccc3)c2F)cnc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The InChIKey is AYOBAXHFRHMJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c1-10-12(7-20-15(16(10)26)18(27)21-9-14(24)25)13-8-22-23(17(13)19)11-5-3-2-4-6-11/h2-8,26H,9H2,1H3,(H,21,27)(H,24,25).
What are the key properties of 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid has a molecular weight of 370.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-fluoro-1-phenylpyrazol-4-yl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).