6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C24H21FN4O3 — CID 175114253

About 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 175114253) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• PubChem CID: 175114253
• Molecular Formula: C24H21FN4O3
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.16
• IUPAC Name: 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• SMILES: CC(NC(=O)c1cc2c(=O)[nH]c(-c3ccc4c(c3)COCC4)cn2n1)c1ccc(F)cc1
• InChI: InChI=1S/C24H21FN4O3/c1-14(15-4-6-19(25)7-5-15)26-23(30)20-11-22-24(31)27-21(12-29(22)28-20)17-3-2-16-8-9-32-13-18(16)10-17/h2-7,10-12,14H,8-9,13H2,1H3,(H,26,30)(H,27,31)
• InChIKey: XBRHEPTZUSLBCP-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 175114253) is 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

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

The canonical SMILES for 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CC(NC(=O)c1cc2c(=O)[nH]c(-c3ccc4c(c3)COCC4)cn2n1)c1ccc(F)cc1.

What is the InChIKey of 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The InChIKey is XBRHEPTZUSLBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-14(15-4-6-19(25)7-5-15)26-23(30)20-11-22-24(31)27-21(12-29(22)28-20)17-3-2-16-8-9-32-13-18(16)10-17/h2-7,10-12,14H,8-9,13H2,1H3,(H,26,30)(H,27,31).

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

6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 175114253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).