5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C23H22FN5O4S — CID 122650849

IUPAC5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc4c(c2)CS(=O)(=O)C4)CC3)ccc1F
InChIInChI=1S/C23H22FN5O4S/c1-13-8-14(3-5-18(13)24)21-20(22(25)30)19-10-28(6-7-29(19)27-21)23(31)26-17-4-2-15-11-34(32,33)12-16(15)9-17/h2-5,8-9H,6-7,10-12H2,1H3,(H2,25,30)(H,26,31)
InChIKeyPSVUAKNNIWWSOO-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.57
Rot. Bonds3

About 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122650849) has the molecular formula C23H22FN5O4S and a molecular weight of 483.53 g/mol. Its IUPAC name is 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122650849
Molecular FormulaC23H22FN5O4S
Molecular Weight483.53 g/mol
Exact Mass483.14
IUPAC Name5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc4c(c2)CS(=O)(=O)C4)CC3)ccc1F
InChIInChI=1S/C23H22FN5O4S/c1-13-8-14(3-5-18(13)24)21-20(22(25)30)19-10-28(6-7-29(19)27-21)23(31)26-17-4-2-15-11-34(32,33)12-16(15)9-17/h2-5,8-9H,6-7,10-12H2,1H3,(H2,25,30)(H,26,31)
InChIKeyPSVUAKNNIWWSOO-UHFFFAOYSA-N
XLogP2.57
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122650849) is 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1cc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc4c(c2)CS(=O)(=O)C4)CC3)ccc1F.
What is the InChIKey of 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is PSVUAKNNIWWSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O4S/c1-13-8-14(3-5-18(13)24)21-20(22(25)30)19-10-28(6-7-29(19)27-21)23(31)26-17-4-2-15-11-34(32,33)12-16(15)9-17/h2-5,8-9H,6-7,10-12H2,1H3,(H2,25,30)(H,26,31).
What are the key properties of 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122650849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).