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

C22H26ClN5O2 — CID 53203021

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

1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53203021) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 53203021
• Molecular Formula: C22H26ClN5O2
• Molecular Weight: 427.94 g/mol
• Exact Mass: 427.18
• IUPAC Name: 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)Oc1ccc(CNC(=O)C2CCCN(c3nnc4c(Cl)cccn34)C2)cc1
• InChI: InChI=1S/C22H26ClN5O2/c1-15(2)30-18-9-7-16(8-10-18)13-24-21(29)17-5-3-11-27(14-17)22-26-25-20-19(23)6-4-12-28(20)22/h4,6-10,12,15,17H,3,5,11,13-14H2,1-2H3,(H,24,29)
• InChIKey: AJRPWFIAMCALJB-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.94
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (CID 53203021) is 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)C2CCCN(c3nnc4c(Cl)cccn34)C2)cc1.

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

The InChIKey is AJRPWFIAMCALJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-15(2)30-18-9-7-16(8-10-18)13-24-21(29)17-5-3-11-27(14-17)22-26-25-20-19(23)6-4-12-28(20)22/h4,6-10,12,15,17H,3,5,11,13-14H2,1-2H3,(H,24,29).

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

1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53203021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).