5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H25FN4O3 — CID 50756536

IUPAC5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOCCCNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccccc1F
InChIInChI=1S/C24H25FN4O3/c1-24(23(31)26-13-8-14-32-2)16-28-21(15-19(27-28)17-9-4-3-5-10-17)22(30)29(24)20-12-7-6-11-18(20)25/h3-7,9-12,15H,8,13-14,16H2,1-2H3,(H,26,31)
InChIKeyPHRQKBBJLBYQBC-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.26
Rot. Bonds7

About 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756536) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756536
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOCCCNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccccc1F
InChIInChI=1S/C24H25FN4O3/c1-24(23(31)26-13-8-14-32-2)16-28-21(15-19(27-28)17-9-4-3-5-10-17)22(30)29(24)20-12-7-6-11-18(20)25/h3-7,9-12,15H,8,13-14,16H2,1-2H3,(H,26,31)
InChIKeyPHRQKBBJLBYQBC-UHFFFAOYSA-N
XLogP3.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756536) is 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COCCCNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is PHRQKBBJLBYQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-24(23(31)26-13-8-14-32-2)16-28-21(15-19(27-28)17-9-4-3-5-10-17)22(30)29(24)20-12-7-6-11-18(20)25/h3-7,9-12,15H,8,13-14,16H2,1-2H3,(H,26,31).
What are the key properties of 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).