4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide

C26H34N6O3 — CID 46282518

About 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide

4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide (PubChem CID 46282518) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide.

Molecular Properties

• Compound Name: 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
• PubChem CID: 46282518
• Molecular Formula: C26H34N6O3
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.27
• IUPAC Name: 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
• SMILES: Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NCCCN2CCOCC2)c2ccccc21
• InChI: InChI=1S/C26H34N6O3/c1-29-19-21(20-6-2-3-7-23(20)29)22-18-25-31(12-5-13-32(25)28-22)26(34)9-8-24(33)27-10-4-11-30-14-16-35-17-15-30/h2-3,6-7,18-19H,4-5,8-17H2,1H3,(H,27,33)
• InChIKey: XLXMAYIJJVSGDZ-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 84.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide?

The IUPAC name of 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide (CID 46282518) is 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide.

What is the SMILES notation for 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide?

The canonical SMILES for 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide is Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NCCCN2CCOCC2)c2ccccc21.

What is the InChIKey of 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide?

The InChIKey is XLXMAYIJJVSGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-29-19-21(20-6-2-3-7-23(20)29)22-18-25-31(12-5-13-32(25)28-22)26(34)9-8-24(33)27-10-4-11-30-14-16-35-17-15-30/h2-3,6-7,18-19H,4-5,8-17H2,1H3,(H,27,33).

What are the key properties of 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide?

4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide has a molecular weight of 478.60 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide is sourced from PubChem (CID 46282518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).