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

C19H15FN8O3 — CID 146147423

IUPAC5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-n2cc(Cn3cc(CNC(=O)c4cncc(F)c4)cn3)nn2)c1
InChIInChI=1S/C19H15FN8O3/c20-15-1-13(5-21-7-15)18(29)23-3-12-4-24-27(9-12)10-16-11-28(26-25-16)17-2-14(19(30)31)6-22-8-17/h1-2,4-9,11H,3,10H2,(H,23,29)(H,30,31)
InChIKeyZMRTWEQCZZSCDH-UHFFFAOYSA-N
MW422.38 g/mol
LogP1.07
Rot. Bonds7

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

5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 146147423) has the molecular formula C19H15FN8O3 and a molecular weight of 422.38 g/mol. Its IUPAC name is 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid
PubChem CID146147423
Molecular FormulaC19H15FN8O3
Molecular Weight422.38 g/mol
Exact Mass422.13
IUPAC Name5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-n2cc(Cn3cc(CNC(=O)c4cncc(F)c4)cn3)nn2)c1
InChIInChI=1S/C19H15FN8O3/c20-15-1-13(5-21-7-15)18(29)23-3-12-4-24-27(9-12)10-16-11-28(26-25-16)17-2-14(19(30)31)6-22-8-17/h1-2,4-9,11H,3,10H2,(H,23,29)(H,30,31)
InChIKeyZMRTWEQCZZSCDH-UHFFFAOYSA-N
XLogP1.07
TPSA140.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid (CID 146147423) is 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]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)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-n2cc(Cn3cc(CNC(=O)c4cncc(F)c4)cn3)nn2)c1.
What is the InChIKey of 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is ZMRTWEQCZZSCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN8O3/c20-15-1-13(5-21-7-15)18(29)23-3-12-4-24-27(9-12)10-16-11-28(26-25-16)17-2-14(19(30)31)6-22-8-17/h1-2,4-9,11H,3,10H2,(H,23,29)(H,30,31).
What are the key properties of 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid?
5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 422.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-[[(5-fluoropyridine-3-carbonyl)amino]methyl]pyrazol-1-yl]methyl]triazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146147423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).