6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C24H26FN5O4S — CID 46279155

IUPAC6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCCSCc3ccco3)nn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C24H26FN5O4S/c1-24(23(33)27-13-16-5-7-17(25)8-6-16)15-30-20(22(32)29(24)2)12-19(28-30)21(31)26-9-11-35-14-18-4-3-10-34-18/h3-8,10,12H,9,11,13-15H2,1-2H3,(H,26,31)(H,27,33)
InChIKeyRTCLQNDWVLZGGQ-UHFFFAOYSA-N
MW499.57 g/mol
LogP2.44
Rot. Bonds9

About 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46279155) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46279155
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCCSCc3ccco3)nn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C24H26FN5O4S/c1-24(23(33)27-13-16-5-7-17(25)8-6-16)15-30-20(22(32)29(24)2)12-19(28-30)21(31)26-9-11-35-14-18-4-3-10-34-18/h3-8,10,12H,9,11,13-15H2,1-2H3,(H,26,31)(H,27,33)
InChIKeyRTCLQNDWVLZGGQ-UHFFFAOYSA-N
XLogP2.44
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46279155) is 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NCCSCc3ccco3)nn2CC1(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is RTCLQNDWVLZGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-24(23(33)27-13-16-5-7-17(25)8-6-16)15-30-20(22(32)29(24)2)12-19(28-30)21(31)26-9-11-35-14-18-4-3-10-34-18/h3-8,10,12H,9,11,13-15H2,1-2H3,(H,26,31)(H,27,33).
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 499.57 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluorophenyl)methyl]-2-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46279155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).