1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C19H19ClFN5O — CID 53203235

About 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 53203235) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 53203235
• Molecular Formula: C19H19ClFN5O
• Molecular Weight: 387.85 g/mol
• Exact Mass: 387.13
• IUPAC Name: 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
• SMILES: O=C(NCc1cccc(F)c1)C1CCCN(c2nnc3c(Cl)cccn23)C1
• InChI: InChI=1S/C19H19ClFN5O/c20-16-7-3-9-26-17(16)23-24-19(26)25-8-2-5-14(12-25)18(27)22-11-13-4-1-6-15(21)10-13/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2,(H,22,27)
• InChIKey: YLAZAYNCDCXEQW-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.85
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 53203235) is 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCCN(c2nnc3c(Cl)cccn23)C1.

What is the InChIKey of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?

The InChIKey is YLAZAYNCDCXEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c20-16-7-3-9-26-17(16)23-24-19(26)25-8-2-5-14(12-25)18(27)22-11-13-4-1-6-15(21)10-13/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2,(H,22,27).

What are the key properties of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?

1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-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-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53203235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).