N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide

C21H24N4O3 — CID 67777438

About N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide

N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide (PubChem CID 67777438) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide
• PubChem CID: 67777438
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](C)COc1ccc(-c2nc3cc(OCC4CC4)ccn3n2)cc1
• InChI: InChI=1S/C21H24N4O3/c1-14(22-15(2)26)12-27-18-7-5-17(6-8-18)21-23-20-11-19(9-10-25(20)24-21)28-13-16-3-4-16/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,22,26)/t14-/m0/s1
• InChIKey: VEXSTFZXKCYSOS-AWEZNQCLSA-N
• XLogP: 3.09
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide?

The IUPAC name of N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide (CID 67777438) is N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1ccc(-c2nc3cc(OCC4CC4)ccn3n2)cc1.

What is the InChIKey of N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide?

The InChIKey is VEXSTFZXKCYSOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(22-15(2)26)12-27-18-7-5-17(6-8-18)21-23-20-11-19(9-10-25(20)24-21)28-13-16-3-4-16/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,22,26)/t14-/m0/s1.

What are the key properties of N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide?

N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 67777438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).