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

C18H19N5O2 — CID 46349694

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

N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 46349694) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
• PubChem CID: 46349694
• Molecular Formula: C18H19N5O2
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.15
• IUPAC Name: N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
• SMILES: CNC(=O)CN1C(=O)CCn2nc(-c3cn(C)c4ccccc34)cc21
• InChI: InChI=1S/C18H19N5O2/c1-19-16(24)11-22-17-9-14(20-23(17)8-7-18(22)25)13-10-21(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,24)
• InChIKey: NIDCTVBIEXEGKN-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 72.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 46349694) is N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide.

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

The canonical SMILES for N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide is CNC(=O)CN1C(=O)CCn2nc(-c3cn(C)c4ccccc34)cc21.

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

The InChIKey is NIDCTVBIEXEGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-19-16(24)11-22-17-9-14(20-23(17)8-7-18(22)25)13-10-21(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,24).

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

N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 46349694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).