(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone

C15H19N5OS — CID 165435156

IUPAC(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nccn3nccc23)C1)N1CCSCC1
InChIInChI=1S/C15H19N5OS/c21-15(18-7-9-22-10-8-18)12-2-5-19(11-12)14-13-1-3-17-20(13)6-4-16-14/h1,3-4,6,12H,2,5,7-11H2
InChIKeyYIYIZQVHFXFMHV-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.13
Rot. Bonds2

About (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone

(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone (PubChem CID 165435156) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
PubChem CID165435156
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nccn3nccc23)C1)N1CCSCC1
InChIInChI=1S/C15H19N5OS/c21-15(18-7-9-22-10-8-18)12-2-5-19(11-12)14-13-1-3-17-20(13)6-4-16-14/h1,3-4,6,12H,2,5,7-11H2
InChIKeyYIYIZQVHFXFMHV-UHFFFAOYSA-N
XLogP1.13
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone (CID 165435156) is (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone is O=C(C1CCN(c2nccn3nccc23)C1)N1CCSCC1.
What is the InChIKey of (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is YIYIZQVHFXFMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-15(18-7-9-22-10-8-18)12-2-5-19(11-12)14-13-1-3-17-20(13)6-4-16-14/h1,3-4,6,12H,2,5,7-11H2.
What are the key properties of (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 317.42 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 165435156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).