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

C19H17FN4O4 — CID 162731593

IUPAC2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1nn(-c2cccc(F)c2)cc1-c1cnc(C(=O)NCC(=O)O)c(O)c1C
InChIInChI=1S/C19H17FN4O4/c1-10-14(7-21-17(18(10)27)19(28)22-8-16(25)26)15-9-24(23-11(15)2)13-5-3-4-12(20)6-13/h3-7,9,27H,8H2,1-2H3,(H,22,28)(H,25,26)
InChIKeyTVQXZSGCUMZDGM-UHFFFAOYSA-N
MW384.37 g/mol
LogP2.21
Rot. Bonds5

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

2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731593) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
PubChem CID162731593
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1nn(-c2cccc(F)c2)cc1-c1cnc(C(=O)NCC(=O)O)c(O)c1C
InChIInChI=1S/C19H17FN4O4/c1-10-14(7-21-17(18(10)27)19(28)22-8-16(25)26)15-9-24(23-11(15)2)13-5-3-4-12(20)6-13/h3-7,9,27H,8H2,1-2H3,(H,22,28)(H,25,26)
InChIKeyTVQXZSGCUMZDGM-UHFFFAOYSA-N
XLogP2.21
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid (CID 162731593) is 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid is Cc1nn(-c2cccc(F)c2)cc1-c1cnc(C(=O)NCC(=O)O)c(O)c1C.
What is the InChIKey of 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The InChIKey is TVQXZSGCUMZDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c1-10-14(7-21-17(18(10)27)19(28)22-8-16(25)26)15-9-24(23-11(15)2)13-5-3-4-12(20)6-13/h3-7,9,27H,8H2,1-2H3,(H,22,28)(H,25,26).
What are the key properties of 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid has a molecular weight of 384.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).