5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C25H34N4O4 — CID 167414256

About 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 167414256) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• PubChem CID: 167414256
• Molecular Formula: C25H34N4O4
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.26
• IUPAC Name: 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• SMILES: CCOCc1ccc2c(c1)CC(NC(=O)c1cc3n(n1)CCN(CCOC1CCC1)C3)CO2
• InChI: InChI=1S/C25H34N4O4/c1-2-31-16-18-6-7-24-19(12-18)13-20(17-33-24)26-25(30)23-14-21-15-28(8-9-29(21)27-23)10-11-32-22-4-3-5-22/h6-7,12,14,20,22H,2-5,8-11,13,15-17H2,1H3,(H,26,30)
• InChIKey: GQWFGOCBAMILSB-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 77.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The IUPAC name of 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 167414256) is 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

What is the SMILES notation for 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The canonical SMILES for 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CCOCc1ccc2c(c1)CC(NC(=O)c1cc3n(n1)CCN(CCOC1CCC1)C3)CO2.

What is the InChIKey of 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The InChIKey is GQWFGOCBAMILSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-2-31-16-18-6-7-24-19(12-18)13-20(17-33-24)26-25(30)23-14-21-15-28(8-9-29(21)27-23)10-11-32-22-4-3-5-22/h6-7,12,14,20,22H,2-5,8-11,13,15-17H2,1H3,(H,26,30).

What are the key properties of 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167414256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).