N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

C18H25N5O3 — CID 46282473

About N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide (PubChem CID 46282473) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
• PubChem CID: 46282473
• Molecular Formula: C18H25N5O3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.20
• IUPAC Name: N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
• SMILES: COCCNC(=O)CCC(=O)N1CCCn2nc(-c3cccn3C)cc21
• InChI: InChI=1S/C18H25N5O3/c1-21-9-3-5-15(21)14-13-17-22(10-4-11-23(17)20-14)18(25)7-6-16(24)19-8-12-26-2/h3,5,9,13H,4,6-8,10-12H2,1-2H3,(H,19,24)
• InChIKey: PFGRJTHIFPFRBM-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 81.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The IUPAC name of N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide (CID 46282473) is N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide.

What is the SMILES notation for N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The canonical SMILES for N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide is COCCNC(=O)CCC(=O)N1CCCn2nc(-c3cccn3C)cc21.

What is the InChIKey of N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The InChIKey is PFGRJTHIFPFRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-21-9-3-5-15(21)14-13-17-22(10-4-11-23(17)20-14)18(25)7-6-16(24)19-8-12-26-2/h3,5,9,13H,4,6-8,10-12H2,1-2H3,(H,19,24).

What are the key properties of N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide has a molecular weight of 359.43 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide is sourced from PubChem (CID 46282473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).