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

C22H22FN5O3S — CID 46278956

IUPAC6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCc3cccs3)nn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H22FN5O3S/c1-22(21(31)25-11-14-5-7-15(23)8-6-14)13-28-18(20(30)27(22)2)10-17(26-28)19(29)24-12-16-4-3-9-32-16/h3-10H,11-13H2,1-2H3,(H,24,29)(H,25,31)
InChIKeyUUPWOQLLPCWNKI-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.17
Rot. Bonds6

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

6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278956) has the molecular formula C22H22FN5O3S and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278956
Molecular FormulaC22H22FN5O3S
Molecular Weight455.52 g/mol
Exact Mass455.14
IUPAC Name6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCc3cccs3)nn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H22FN5O3S/c1-22(21(31)25-11-14-5-7-15(23)8-6-14)13-28-18(20(30)27(22)2)10-17(26-28)19(29)24-12-16-4-3-9-32-16/h3-10H,11-13H2,1-2H3,(H,24,29)(H,25,31)
InChIKeyUUPWOQLLPCWNKI-UHFFFAOYSA-N
XLogP2.17
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-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
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
N-[(3R,5S)-1-(1-benzothiophene-5-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76314532
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 127049214

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278956) is 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NCc3cccs3)nn2CC1(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is UUPWOQLLPCWNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3S/c1-22(21(31)25-11-14-5-7-15(23)8-6-14)13-28-18(20(30)27(22)2)10-17(26-28)19(29)24-12-16-4-3-9-32-16/h3-10H,11-13H2,1-2H3,(H,24,29)(H,25,31).
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.17, 6 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-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).