(6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen

C17H22FN5O3S — CID 145440464

IUPAC(6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen
SMILESC[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1C(=O)Nc1ccccc1F.[H][H]
InChIInChI=1S/C17H20FN5O3S.H2/c1-12-10-22-16(15(9-19-22)23-7-4-8-27(23,25)26)11-21(12)17(24)20-14-6-3-2-5-13(14)18;/h2-3,5-6,9,12H,4,7-8,10-11H2,1H3,(H,20,24);1H/t12-;/m0./s1
InChIKeyAITWPUCIWWZBFN-YDALLXLXSA-N
MW395.46 g/mol
LogP2.24
Rot. Bonds2

About (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen

(6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen (PubChem CID 145440464) has the molecular formula C17H22FN5O3S and a molecular weight of 395.46 g/mol. Its IUPAC name is (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen
PubChem CID145440464
Molecular FormulaC17H22FN5O3S
Molecular Weight395.46 g/mol
Exact Mass395.14
IUPAC Name(6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen
SMILESC[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1C(=O)Nc1ccccc1F.[H][H]
InChIInChI=1S/C17H20FN5O3S.H2/c1-12-10-22-16(15(9-19-22)23-7-4-8-27(23,25)26)11-21(12)17(24)20-14-6-3-2-5-13(14)18;/h2-3,5-6,9,12H,4,7-8,10-11H2,1H3,(H,20,24);1H/t12-;/m0./s1
InChIKeyAITWPUCIWWZBFN-YDALLXLXSA-N
XLogP2.24
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen with MolForge

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Related Compounds

(6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 134182887
(6S)-3-(4-hydroxy-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 134182632
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
(6S)-6-methyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484232
2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 134182612
(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484191
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166828040
2-(2-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 71683758
1-[(6S)-3-(4-hydroxy-1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 159935768
(6S)-6-methyl-3-(3-methyl-1,2,5-thiadiazolidin-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 134182797
(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484226
1-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 121484318

Frequently Asked Questions

What is the IUPAC name of (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen?
The IUPAC name of (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen (CID 145440464) is (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen?
The canonical SMILES for (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen is C[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1C(=O)Nc1ccccc1F.[H][H].
What is the InChIKey of (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen?
The InChIKey is AITWPUCIWWZBFN-YDALLXLXSA-N. The full InChI is InChI=1S/C17H20FN5O3S.H2/c1-12-10-22-16(15(9-19-22)23-7-4-8-27(23,25)26)11-21(12)17(24)20-14-6-3-2-5-13(14)18;/h2-3,5-6,9,12H,4,7-8,10-11H2,1H3,(H,20,24);1H/t12-;/m0./s1.
What are the key properties of (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen?
(6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen has a molecular weight of 395.46 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 145440464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).