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

C23H24FN5O3S — CID 46278976

IUPAC6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H24FN5O3S/c1-23(22(32)26-13-15-5-7-16(24)8-6-15)14-29-19(21(31)28(23)2)12-18(27-29)20(30)25-10-9-17-4-3-11-33-17/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,25,30)(H,26,32)
InChIKeyVWPNNHIXYLKWRZ-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.22
Rot. Bonds7

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

6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278976) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278976
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC Name6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H24FN5O3S/c1-23(22(32)26-13-15-5-7-16(24)8-6-15)14-29-19(21(31)28(23)2)12-18(27-29)20(30)25-10-9-17-4-3-11-33-17/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,25,30)(H,26,32)
InChIKeyVWPNNHIXYLKWRZ-UHFFFAOYSA-N
XLogP2.22
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

Pyrazole scaffold, 7d
CID 24893962
Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
Pyrazole scaffold, 10b
CID 25218478
Pyrazole scaffold, 10d
CID 25218480
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
2-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919877
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 129226880
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919719
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[(thiophen-2-yl)methyl]acetamide
CID 20919834
1-[(5-acetyl-3-thienyl)methyl]-N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-4-piperidinecarboxamide
CID 24791211

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278976) is 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is VWPNNHIXYLKWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c1-23(22(32)26-13-15-5-7-16(24)8-6-15)14-29-19(21(31)28(23)2)12-18(27-29)20(30)25-10-9-17-4-3-11-33-17/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,25,30)(H,26,32).
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 469.54 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).