5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid

C20H17FN8O3 — CID 146147426

IUPAC5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid
SMILESCN(Cc1cnn(Cc2cn(-c3cncc(C(=O)O)c3)nn2)c1)C(=O)c1cncc(F)c1
InChIInChI=1S/C20H17FN8O3/c1-27(19(30)14-2-16(21)7-22-5-14)9-13-4-24-28(10-13)11-17-12-29(26-25-17)18-3-15(20(31)32)6-23-8-18/h2-8,10,12H,9,11H2,1H3,(H,31,32)
InChIKeyPQBSZJFPGWKUNO-UHFFFAOYSA-N
MW436.41 g/mol
LogP1.41
Rot. Bonds7

About 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid

5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 146147426) has the molecular formula C20H17FN8O3 and a molecular weight of 436.41 g/mol. Its IUPAC name is 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid
PubChem CID146147426
Molecular FormulaC20H17FN8O3
Molecular Weight436.41 g/mol
Exact Mass436.14
IUPAC Name5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid
SMILESCN(Cc1cnn(Cc2cn(-c3cncc(C(=O)O)c3)nn2)c1)C(=O)c1cncc(F)c1
InChIInChI=1S/C20H17FN8O3/c1-27(19(30)14-2-16(21)7-22-5-14)9-13-4-24-28(10-13)11-17-12-29(26-25-17)18-3-15(20(31)32)6-23-8-18/h2-8,10,12H,9,11H2,1H3,(H,31,32)
InChIKeyPQBSZJFPGWKUNO-UHFFFAOYSA-N
XLogP1.41
TPSA131.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid (CID 146147426) is 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid is CN(Cc1cnn(Cc2cn(-c3cncc(C(=O)O)c3)nn2)c1)C(=O)c1cncc(F)c1.
What is the InChIKey of 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is PQBSZJFPGWKUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8O3/c1-27(19(30)14-2-16(21)7-22-5-14)9-13-4-24-28(10-13)11-17-12-29(26-25-17)18-3-15(20(31)32)6-23-8-18/h2-8,10,12H,9,11H2,1H3,(H,31,32).
What are the key properties of 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid?
5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 436.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)-methylamino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146147426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).