6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C22H28N6O3 — CID 50758764

About 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758764) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 50758764
• Molecular Formula: C22H28N6O3
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.22
• IUPAC Name: 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CCN1C(=O)c2cc(C(=O)NCc3ccccn3)nn2CC1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C22H28N6O3/c1-3-27-20(30)18-12-17(19(29)24-13-16-10-6-7-11-23-16)26-28(18)14-22(27,2)21(31)25-15-8-4-5-9-15/h6-7,10-12,15H,3-5,8-9,13-14H2,1-2H3,(H,24,29)(H,25,31)
• InChIKey: RYBDTKFUUBXWID-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The IUPAC name of 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758764) is 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

What is the SMILES notation for 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The canonical SMILES for 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN1C(=O)c2cc(C(=O)NCc3ccccn3)nn2CC1(C)C(=O)NC1CCCC1.

What is the InChIKey of 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The InChIKey is RYBDTKFUUBXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-3-27-20(30)18-12-17(19(29)24-13-16-10-6-7-11-23-16)26-28(18)14-22(27,2)21(31)25-15-8-4-5-9-15/h6-7,10-12,15H,3-5,8-9,13-14H2,1-2H3,(H,24,29)(H,25,31).

What are the key properties of 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).