N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C20H23N5O3S — CID 91908343

IUPACN-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1OC
InChIInChI=1S/C20H23N5O3S/c1-13-12-25-16(19(21-13)24-6-8-29-9-7-24)11-15(23-25)20(26)22-14-4-5-17(27-2)18(10-14)28-3/h4-5,10-12H,6-9H2,1-3H3,(H,22,26)
InChIKeyHGRAILUBZVUSPZ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.86
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908343) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908343
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1OC
InChIInChI=1S/C20H23N5O3S/c1-13-12-25-16(19(21-13)24-6-8-29-9-7-24)11-15(23-25)20(26)22-14-4-5-17(27-2)18(10-14)28-3/h4-5,10-12H,6-9H2,1-3H3,(H,22,26)
InChIKeyHGRAILUBZVUSPZ-UHFFFAOYSA-N
XLogP2.86
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908343) is N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is HGRAILUBZVUSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-13-12-25-16(19(21-13)24-6-8-29-9-7-24)11-15(23-25)20(26)22-14-4-5-17(27-2)18(10-14)28-3/h4-5,10-12H,6-9H2,1-3H3,(H,22,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).