5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C21H16F2N6O2S — CID 122650978

IUPAC5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CN(C(=O)Nc1ccc3scnc3c1)CC2
InChIInChI=1S/C21H16F2N6O2S/c22-13-3-1-11(7-14(13)23)19-18(20(24)30)16-9-28(5-6-29(16)27-19)21(31)26-12-2-4-17-15(8-12)25-10-32-17/h1-4,7-8,10H,5-6,9H2,(H2,24,30)(H,26,31)
InChIKeyHGFFGTDDACXBLT-UHFFFAOYSA-N
MW454.46 g/mol
LogP3.58
Rot. Bonds3

About 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122650978) has the molecular formula C21H16F2N6O2S and a molecular weight of 454.46 g/mol. Its IUPAC name is 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122650978
Molecular FormulaC21H16F2N6O2S
Molecular Weight454.46 g/mol
Exact Mass454.10
IUPAC Name5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CN(C(=O)Nc1ccc3scnc3c1)CC2
InChIInChI=1S/C21H16F2N6O2S/c22-13-3-1-11(7-14(13)23)19-18(20(24)30)16-9-28(5-6-29(16)27-19)21(31)26-12-2-4-17-15(8-12)25-10-32-17/h1-4,7-8,10H,5-6,9H2,(H2,24,30)(H,26,31)
InChIKeyHGFFGTDDACXBLT-UHFFFAOYSA-N
XLogP3.58
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 165414909
N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 18205340
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 155546662
US9598423, Example 225
CID 118085577
US9598423, Example A53
CID 118085696
US9598423, Example 240
CID 122639752
US9598423, Example 238
CID 122639797
US9598423, Example 228
CID 122639866
US10221129, Example VN-17
CID 122648100
(2S)-N-(1,3-benzothiazol-5-yl)-3-(3,5-difluorophenyl)-N-methyl-2-[[2-(2-pyridyl)pyrrolidin-1-yl]sulfonylcarbamoylamino]propanamide
CID 122648195
US10221129, Example VN-28
CID 122648221
US10221129, Example BB-33
CID 122648319

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122650978) is 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CN(C(=O)Nc1ccc3scnc3c1)CC2.
What is the InChIKey of 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is HGFFGTDDACXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O2S/c22-13-3-1-11(7-14(13)23)19-18(20(24)30)16-9-28(5-6-29(16)27-19)21(31)26-12-2-4-17-15(8-12)25-10-32-17/h1-4,7-8,10H,5-6,9H2,(H2,24,30)(H,26,31).
What are the key properties of 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 454.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzothiazol-5-yl)-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122650978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).