N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide

C19H24N8O — CID 166430051

About N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 166430051) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide
• PubChem CID: 166430051
• Molecular Formula: C19H24N8O
• Molecular Weight: 380.46 g/mol
• Exact Mass: 380.21
• IUPAC Name: N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide
• SMILES: C#CCCC1(CCNC(=O)C2CCCCN2c2ncnc3c2cnn3C)N=N1
• InChI: InChI=1S/C19H24N8O/c1-3-4-8-19(24-25-19)9-10-20-18(28)15-7-5-6-11-27(15)17-14-12-23-26(2)16(14)21-13-22-17/h1,12-13,15H,4-11H2,2H3,(H,20,28)
• InChIKey: BRFVRFPSRAOCKF-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 100.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.46
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide?

The IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide (CID 166430051) is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide.

What is the SMILES notation for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide?

The canonical SMILES for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide is C#CCCC1(CCNC(=O)C2CCCCN2c2ncnc3c2cnn3C)N=N1.

What is the InChIKey of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide?

The InChIKey is BRFVRFPSRAOCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-3-4-8-19(24-25-19)9-10-20-18(28)15-7-5-6-11-27(15)17-14-12-23-26(2)16(14)21-13-22-17/h1,12-13,15H,4-11H2,2H3,(H,20,28).

What are the key properties of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide?

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 166430051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).