2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide

C26H24N6O3 — CID 55703253

About 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide

2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide (PubChem CID 55703253) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
• PubChem CID: 55703253
• Molecular Formula: C26H24N6O3
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.19
• IUPAC Name: 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
• SMILES: CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
• InChI: InChI=1S/C26H24N6O3/c1-17(33)28-23(14-19-15-27-22-10-3-2-9-21(19)22)25(34)29-20-8-6-7-18(13-20)16-32-26(35)31-12-5-4-11-24(31)30-32/h2-13,15,23,27H,14,16H2,1H3,(H,28,33)(H,29,34)
• InChIKey: SJQQZEOZRZSZCT-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 113.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide?

The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide (CID 55703253) is 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide.

What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide?

The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1.

What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide?

The InChIKey is SJQQZEOZRZSZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-17(33)28-23(14-19-15-27-22-10-3-2-9-21(19)22)25(34)29-20-8-6-7-18(13-20)16-32-26(35)31-12-5-4-11-24(31)30-32/h2-13,15,23,27H,14,16H2,1H3,(H,28,33)(H,29,34).

What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide?

2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide has a molecular weight of 468.52 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 55703253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).