4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid

C21H20N6O2 — CID 141325023

IUPAC4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIInChI=1S/C21H20N6O2/c28-21(29)26-12-9-15(10-13-26)22-16-5-3-4-14-7-8-17(23-19(14)16)20-25-24-18-6-1-2-11-27(18)20/h1-8,11,15,22H,9-10,12-13H2,(H,28,29)
InChIKeyONFUCJWFTFKZLF-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.50
Rot. Bonds3

About 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid

4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid (PubChem CID 141325023) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid
PubChem CID141325023
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIInChI=1S/C21H20N6O2/c28-21(29)26-12-9-15(10-13-26)22-16-5-3-4-14-7-8-17(23-19(14)16)20-25-24-18-6-1-2-11-27(18)20/h1-8,11,15,22H,9-10,12-13H2,(H,28,29)
InChIKeyONFUCJWFTFKZLF-UHFFFAOYSA-N
XLogP3.50
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
CID 67234704
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid
CID 67231057
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852
8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 58303665
8-[(4S,5S)-5-fluoroazepan-4-yl]oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 67230102
[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid
CID 67230169
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318
(2S,4S)-N-methoxy-N-methyl-4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxamide;dihydrochloride
CID 86654360
tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylate
CID 86654359
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153
8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233383
N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 17457885

Frequently Asked Questions

What is the IUPAC name of 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid (CID 141325023) is 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1.
What is the InChIKey of 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is ONFUCJWFTFKZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-21(29)26-12-9-15(10-13-26)22-16-5-3-4-14-7-8-17(23-19(14)16)20-25-24-18-6-1-2-11-27(18)20/h1-8,11,15,22H,9-10,12-13H2,(H,28,29).
What are the key properties of 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid?
4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 388.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 141325023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).