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

C19H16F2N6O2 — CID 118061659

IUPAC2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(F)nc1)CC2
InChIInChI=1S/C19H16F2N6O2/c20-12-3-1-2-11(8-12)17-16(18(22)28)14-10-26(6-7-27(14)25-17)19(29)24-13-4-5-15(21)23-9-13/h1-5,8-9H,6-7,10H2,(H2,22,28)(H,24,29)
InChIKeyHFPFASSEHFNRRZ-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.37
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061659) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061659
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC Name2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(F)nc1)CC2
InChIInChI=1S/C19H16F2N6O2/c20-12-3-1-2-11(8-12)17-16(18(22)28)14-10-26(6-7-27(14)25-17)19(29)24-13-4-5-15(21)23-9-13/h1-5,8-9H,6-7,10H2,(H2,22,28)(H,24,29)
InChIKeyHFPFASSEHFNRRZ-UHFFFAOYSA-N
XLogP2.37
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061659) is 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(F)nc1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is HFPFASSEHFNRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c20-12-3-1-2-11(8-12)17-16(18(22)28)14-10-26(6-7-27(14)25-17)19(29)24-13-4-5-15(21)23-9-13/h1-5,8-9H,6-7,10H2,(H2,22,28)(H,24,29).
What are the key properties of 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 398.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(6-fluoro-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).