5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C17H21FN6O2 — CID 118069214

IUPAC5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3ccnc(F)c3)c(C(N)=O)c2C1
InChIInChI=1S/C17H21FN6O2/c1-17(2,3)21-16(26)23-6-7-24-11(9-23)13(15(19)25)14(22-24)10-4-5-20-12(18)8-10/h4-5,8H,6-7,9H2,1-3H3,(H2,19,25)(H,21,26)
InChIKeyOJUJVLCLYZFOAM-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.51
Rot. Bonds2

About 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069214) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069214
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3ccnc(F)c3)c(C(N)=O)c2C1
InChIInChI=1S/C17H21FN6O2/c1-17(2,3)21-16(26)23-6-7-24-11(9-23)13(15(19)25)14(22-24)10-4-5-20-12(18)8-10/h4-5,8H,6-7,9H2,1-3H3,(H2,19,25)(H,21,26)
InChIKeyOJUJVLCLYZFOAM-UHFFFAOYSA-N
XLogP1.51
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069214) is 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)NC(=O)N1CCn2nc(-c3ccnc(F)c3)c(C(N)=O)c2C1.
What is the InChIKey of 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is OJUJVLCLYZFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-17(2,3)21-16(26)23-6-7-24-11(9-23)13(15(19)25)14(22-24)10-4-5-20-12(18)8-10/h4-5,8H,6-7,9H2,1-3H3,(H2,19,25)(H,21,26).
What are the key properties of 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-(2-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).