2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C23H22N6O2 — CID 46349644

About 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 46349644) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 46349644
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.18
• IUPAC Name: 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2ccccn2)c2ccccc21
• InChI: InChI=1S/C23H22N6O2/c1-27-14-18(17-7-2-3-8-20(17)27)19-12-22-28(23(31)9-11-29(22)26-19)15-21(30)25-13-16-6-4-5-10-24-16/h2-8,10,12,14H,9,11,13,15H2,1H3,(H,25,30)
• InChIKey: MHYIPEFMFWQERI-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 46349644) is 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2ccccn2)c2ccccc21.

What is the InChIKey of 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is MHYIPEFMFWQERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-27-14-18(17-7-2-3-8-20(17)27)19-12-22-28(23(31)9-11-29(22)26-19)15-21(30)25-13-16-6-4-5-10-24-16/h2-8,10,12,14H,9,11,13,15H2,1H3,(H,25,30).

What are the key properties of 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?

2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 414.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 46349644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).