2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C26H25N5O3 — CID 53128510

About 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 53128510) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 53128510
• Molecular Formula: C26H25N5O3
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.20
• IUPAC Name: 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4ccc5c(c4)CCC5)c(=O)n3c2)cc1
• InChI: InChI=1S/C26H25N5O3/c1-17-5-7-18(8-6-17)14-27-25(33)21-10-12-23-29-31(26(34)30(23)15-21)16-24(32)28-22-11-9-19-3-2-4-20(19)13-22/h5-13,15H,2-4,14,16H2,1H3,(H,27,33)(H,28,32)
• InChIKey: ZXYZIVVWNLDOJP-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 97.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 53128510) is 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4ccc5c(c4)CCC5)c(=O)n3c2)cc1.

What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is ZXYZIVVWNLDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-17-5-7-18(8-6-17)14-27-25(33)21-10-12-23-29-31(26(34)30(23)15-21)16-24(32)28-22-11-9-19-3-2-4-20(19)13-22/h5-13,15H,2-4,14,16H2,1H3,(H,27,33)(H,28,32).

What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 53128510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).