1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

C20H22ClN5O3 — CID 53203325

About 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 53203325) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
• PubChem CID: 53203325
• Molecular Formula: C20H22ClN5O3
• Molecular Weight: 415.88 g/mol
• Exact Mass: 415.14
• IUPAC Name: 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
• SMILES: COc1ccc(OC)c(NC(=O)C2CCCN(c3nnc4ccc(Cl)cn34)C2)c1
• InChI: InChI=1S/C20H22ClN5O3/c1-28-15-6-7-17(29-2)16(10-15)22-19(27)13-4-3-9-25(11-13)20-24-23-18-8-5-14(21)12-26(18)20/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,22,27)
• InChIKey: SEBXPWIZHPWKIS-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 80.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.88
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?

The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide (CID 53203325) is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?

The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CCCN(c3nnc4ccc(Cl)cn34)C2)c1.

What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?

The InChIKey is SEBXPWIZHPWKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-28-15-6-7-17(29-2)16(10-15)22-19(27)13-4-3-9-25(11-13)20-24-23-18-8-5-14(21)12-26(18)20/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,22,27).

What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2,5-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 53203325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).