6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide

C18H21N5OS2 — CID 91908372

IUPAC6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCc3cccs3)cc2c(N2CCSCC2)n1
InChIInChI=1S/C18H21N5OS2/c1-13-12-23-16(17(20-13)22-6-9-25-10-7-22)11-15(21-23)18(24)19-5-4-14-3-2-8-26-14/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,19,24)
InChIKeyRNQRZXMJQCBZJO-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.62
Rot. Bonds5

About 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide

6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908372) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908372
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC Name6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCc3cccs3)cc2c(N2CCSCC2)n1
InChIInChI=1S/C18H21N5OS2/c1-13-12-23-16(17(20-13)22-6-9-25-10-7-22)11-15(21-23)18(24)19-5-4-14-3-2-8-26-14/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,19,24)
InChIKeyRNQRZXMJQCBZJO-UHFFFAOYSA-N
XLogP2.62
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908372) is 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCCc3cccs3)cc2c(N2CCSCC2)n1.
What is the InChIKey of 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is RNQRZXMJQCBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-13-12-23-16(17(20-13)22-6-9-25-10-7-22)11-15(21-23)18(24)19-5-4-14-3-2-8-26-14/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,19,24).
What are the key properties of 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).