1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

C19H19ClFN5O — CID 53203103

IUPAC1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C19H19ClFN5O/c20-15-4-5-17-23-24-19(26(17)12-15)25-8-6-14(7-9-25)18(27)22-11-13-2-1-3-16(21)10-13/h1-5,10,12,14H,6-9,11H2,(H,22,27)
InChIKeyARIRIBBTGDFBTM-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.05
Rot. Bonds4

About 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 53203103) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID53203103
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C19H19ClFN5O/c20-15-4-5-17-23-24-19(26(17)12-15)25-8-6-14(7-9-25)18(27)22-11-13-2-1-3-16(21)10-13/h1-5,10,12,14H,6-9,11H2,(H,22,27)
InChIKeyARIRIBBTGDFBTM-UHFFFAOYSA-N
XLogP3.05
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53203104
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide
CID 53203551
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 53203100
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95115108
N-[(3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 171473313
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 53203112
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53203235
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide
CID 83278475
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
(3S)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94490782
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
N-[(3-fluorophenyl)methyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 134793193

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide (CID 53203103) is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1cccc(F)c1)C1CCN(c2nnc3ccc(Cl)cn23)CC1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ARIRIBBTGDFBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c20-15-4-5-17-23-24-19(26(17)12-15)25-8-6-14(7-9-25)18(27)22-11-13-2-1-3-16(21)10-13/h1-5,10,12,14H,6-9,11H2,(H,22,27).
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53203103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).