(6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C20H27N5O — CID 131652972

About (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 131652972) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
• PubChem CID: 131652972
• Molecular Formula: C20H27N5O
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.22
• IUPAC Name: (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
• SMILES: Cc1ccc(C(=O)N2Cc3ccnn3C(CCN3CCCCC3)C2)cn1
• InChI: InChI=1S/C20H27N5O/c1-16-5-6-17(13-21-16)20(26)24-14-18-7-9-22-25(18)19(15-24)8-12-23-10-3-2-4-11-23/h5-7,9,13,19H,2-4,8,10-12,14-15H2,1H3
• InChIKey: BKYXJKXEYNSAEX-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?

The IUPAC name of (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 131652972) is (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

What is the SMILES notation for (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?

The canonical SMILES for (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1ccc(C(=O)N2Cc3ccnn3C(CCN3CCCCC3)C2)cn1.

What is the InChIKey of (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?

The InChIKey is BKYXJKXEYNSAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16-5-6-17(13-21-16)20(26)24-14-18-7-9-22-25(18)19(15-24)8-12-23-10-3-2-4-11-23/h5-7,9,13,19H,2-4,8,10-12,14-15H2,1H3.

What are the key properties of (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?

(6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 131652972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).