2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide

C24H25N5O3 — CID 92578696

About 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide

2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide (PubChem CID 92578696) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide
• PubChem CID: 92578696
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide
• SMILES: COc1ccccc1CC(=O)NC(c1cc(=O)n2[nH]c(-c3ccccn3)cc2n1)C(C)C
• InChI: InChI=1S/C24H25N5O3/c1-15(2)24(27-22(30)12-16-8-4-5-10-20(16)32-3)19-14-23(31)29-21(26-19)13-18(28-29)17-9-6-7-11-25-17/h4-11,13-15,24,28H,12H2,1-3H3,(H,27,30)
• InChIKey: RMSCZEFOQLTVPT-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide?

The IUPAC name of 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide (CID 92578696) is 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide.

What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide?

The canonical SMILES for 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide is COc1ccccc1CC(=O)NC(c1cc(=O)n2[nH]c(-c3ccccn3)cc2n1)C(C)C.

What is the InChIKey of 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide?

The InChIKey is RMSCZEFOQLTVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15(2)24(27-22(30)12-16-8-4-5-10-20(16)32-3)19-14-23(31)29-21(26-19)13-18(28-29)17-9-6-7-11-25-17/h4-11,13-15,24,28H,12H2,1-3H3,(H,27,30).

What are the key properties of 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide?

2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide is sourced from PubChem (CID 92578696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).