2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide

C17H19N7O3 — CID 55497955

About 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide

2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide (PubChem CID 55497955) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide.

Molecular Properties

• Compound Name: 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide
• PubChem CID: 55497955
• Molecular Formula: C17H19N7O3
• Molecular Weight: 369.39 g/mol
• Exact Mass: 369.15
• IUPAC Name: 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide
• SMILES: Cc1ccc(NCC(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)cc1
• InChI: InChI=1S/C17H19N7O3/c1-11-3-5-12(6-4-11)18-8-14(25)21-22-15(26)9-24-10-19-16-13(17(24)27)7-20-23(16)2/h3-7,10,18H,8-9H2,1-2H3,(H,21,25)(H,22,26)
• InChIKey: XIOYWNDALOXPNN-UHFFFAOYSA-N
• XLogP: -0.30
• TPSA: 122.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.39
LogP ≤ 5	-0.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide?

The IUPAC name of 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide (CID 55497955) is 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide.

What is the SMILES notation for 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide?

The canonical SMILES for 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)cc1.

What is the InChIKey of 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide?

The InChIKey is XIOYWNDALOXPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-11-3-5-12(6-4-11)18-8-14(25)21-22-15(26)9-24-10-19-16-13(17(24)27)7-20-23(16)2/h3-7,10,18H,8-9H2,1-2H3,(H,21,25)(H,22,26).

What are the key properties of 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide?

2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide has a molecular weight of 369.39 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide is sourced from PubChem (CID 55497955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).