5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C21H25FN6O3 — CID 118071122

IUPAC5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1
InChIInChI=1S/C21H25FN6O3/c1-13(29)26-7-5-16(6-8-26)24-21(31)27-9-10-28-17(12-27)18(20(23)30)19(25-28)14-3-2-4-15(22)11-14/h2-4,11,16H,5-10,12H2,1H3,(H2,23,30)(H,24,31)
InChIKeyYQLQJEXCFIUQOD-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.32
Rot. Bonds3

About 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118071122) has the molecular formula C21H25FN6O3 and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118071122
Molecular FormulaC21H25FN6O3
Molecular Weight428.47 g/mol
Exact Mass428.20
IUPAC Name5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1
InChIInChI=1S/C21H25FN6O3/c1-13(29)26-7-5-16(6-8-26)24-21(31)27-9-10-28-17(12-27)18(20(23)30)19(25-28)14-3-2-4-15(22)11-14/h2-4,11,16H,5-10,12H2,1H3,(H2,23,30)(H,24,31)
InChIKeyYQLQJEXCFIUQOD-UHFFFAOYSA-N
XLogP1.32
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118071122) is 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1.
What is the InChIKey of 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is YQLQJEXCFIUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O3/c1-13(29)26-7-5-16(6-8-26)24-21(31)27-9-10-28-17(12-27)18(20(23)30)19(25-28)14-3-2-4-15(22)11-14/h2-4,11,16H,5-10,12H2,1H3,(H2,23,30)(H,24,31).
What are the key properties of 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 428.47 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-acetylpiperidin-4-yl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118071122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).