N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

C16H21N5O3S — CID 133140458

About N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (PubChem CID 133140458) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
• PubChem CID: 133140458
• Molecular Formula: C16H21N5O3S
• Molecular Weight: 363.44 g/mol
• Exact Mass: 363.14
• IUPAC Name: N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
• SMILES: CS(=O)(=O)NCCC1CN(C(=O)Cc2ccccn2)Cc2ccnn21
• InChI: InChI=1S/C16H21N5O3S/c1-25(23,24)19-9-6-15-12-20(11-14-5-8-18-21(14)15)16(22)10-13-4-2-3-7-17-13/h2-5,7-8,15,19H,6,9-12H2,1H3
• InChIKey: PRISTLCMVUTNIL-UHFFFAOYSA-N
• XLogP: 0.34
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.44
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (CID 133140458) is N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CN(C(=O)Cc2ccccn2)Cc2ccnn21.

What is the InChIKey of N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The InChIKey is PRISTLCMVUTNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-25(23,24)19-9-6-15-12-20(11-14-5-8-18-21(14)15)16(22)10-13-4-2-3-7-17-13/h2-5,7-8,15,19H,6,9-12H2,1H3.

What are the key properties of N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 133140458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).