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

C22H19F2N5O4S — CID 122639785

IUPAC2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CN(C(=O)Nc1ccc3c(c1)CS(=O)(=O)C3)CC2
InChIInChI=1S/C22H19F2N5O4S/c23-16-4-2-12(8-17(16)24)20-19(21(25)30)18-9-28(5-6-29(18)27-20)22(31)26-15-3-1-13-10-34(32,33)11-14(13)7-15/h1-4,7-8H,5-6,9-11H2,(H2,25,30)(H,26,31)
InChIKeyWOCLRQLBKDPYPV-UHFFFAOYSA-N
MW487.49 g/mol
LogP2.40
Rot. Bonds3

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

2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122639785) has the molecular formula C22H19F2N5O4S and a molecular weight of 487.49 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122639785
Molecular FormulaC22H19F2N5O4S
Molecular Weight487.49 g/mol
Exact Mass487.11
IUPAC Name2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CN(C(=O)Nc1ccc3c(c1)CS(=O)(=O)C3)CC2
InChIInChI=1S/C22H19F2N5O4S/c23-16-4-2-12(8-17(16)24)20-19(21(25)30)18-9-28(5-6-29(18)27-20)22(31)26-15-3-1-13-10-34(32,33)11-14(13)7-15/h1-4,7-8H,5-6,9-11H2,(H2,25,30)(H,26,31)
InChIKeyWOCLRQLBKDPYPV-UHFFFAOYSA-N
XLogP2.40
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-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 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122639785) is 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2ccc(F)c(F)c2)nn2c1CN(C(=O)Nc1ccc3c(c1)CS(=O)(=O)C3)CC2.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is WOCLRQLBKDPYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O4S/c23-16-4-2-12(8-17(16)24)20-19(21(25)30)18-9-28(5-6-29(18)27-20)22(31)26-15-3-1-13-10-34(32,33)11-14(13)7-15/h1-4,7-8H,5-6,9-11H2,(H2,25,30)(H,26,31).
What are the key properties of 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 487.49 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122639785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).