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

C19H17FN6O3 — CID 146147441

IUPAC5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-n2cc(C3CCC(NC(=O)c4cncc(F)c4)C3)nn2)c1
InChIInChI=1S/C19H17FN6O3/c20-14-3-12(6-21-8-14)18(27)23-15-2-1-11(4-15)17-10-26(25-24-17)16-5-13(19(28)29)7-22-9-16/h3,5-11,15H,1-2,4H2,(H,23,27)(H,28,29)
InChIKeyVACHMUZUZUJTMM-UHFFFAOYSA-N
MW396.38 g/mol
LogP1.96
Rot. Bonds5

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

5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 146147441) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid
PubChem CID146147441
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-n2cc(C3CCC(NC(=O)c4cncc(F)c4)C3)nn2)c1
InChIInChI=1S/C19H17FN6O3/c20-14-3-12(6-21-8-14)18(27)23-15-2-1-11(4-15)17-10-26(25-24-17)16-5-13(19(28)29)7-22-9-16/h3,5-11,15H,1-2,4H2,(H,23,27)(H,28,29)
InChIKeyVACHMUZUZUJTMM-UHFFFAOYSA-N
XLogP1.96
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 167801853
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide
CID 91796910
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 129381908
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 122246592
5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 164642091
N-[3-[[1-(3,5-dichlorophenyl)-2-(4-fluorophenyl)ethyl]carbamoyl]cyclobutyl]-5-[4-(5-phenylthiophen-2-yl)triazol-1-yl]pyridine-3-carboxamide
CID 166344919
(6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone
CID 167865716
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide;hydrochloride
CID 154903589
2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 113452810
N-cyclopentyl-5-piperidin-1-ylpyridine-3-carboxamide
CID 109225879
2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104785617
N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide
CID 166371682

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid (CID 146147441) is 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-n2cc(C3CCC(NC(=O)c4cncc(F)c4)C3)nn2)c1.
What is the InChIKey of 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is VACHMUZUZUJTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c20-14-3-12(6-21-8-14)18(27)23-15-2-1-11(4-15)17-10-26(25-24-17)16-5-13(19(28)29)7-22-9-16/h3,5-11,15H,1-2,4H2,(H,23,27)(H,28,29).
What are the key properties of 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid?
5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 396.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146147441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).