2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone

C20H27N5OS — CID 171995086

IUPAC2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1CCN(c2nccn3nc(C4CC4)cc23)CC1)N1CCSCC1
InChIInChI=1S/C20H27N5OS/c26-19(23-9-11-27-12-10-23)13-15-3-6-24(7-4-15)20-18-14-17(16-1-2-16)22-25(18)8-5-21-20/h5,8,14-16H,1-4,6-7,9-13H2
InChIKeyJRODVEDDNMZWBL-UHFFFAOYSA-N
MW385.54 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone

2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone (PubChem CID 171995086) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
PubChem CID171995086
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1CCN(c2nccn3nc(C4CC4)cc23)CC1)N1CCSCC1
InChIInChI=1S/C20H27N5OS/c26-19(23-9-11-27-12-10-23)13-15-3-6-24(7-4-15)20-18-14-17(16-1-2-16)22-25(18)8-5-21-20/h5,8,14-16H,1-4,6-7,9-13H2
InChIKeyJRODVEDDNMZWBL-UHFFFAOYSA-N
XLogP2.79
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146079752
1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)azepan-4-ol
CID 171691218
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone
CID 172891987
2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864229
N-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881969
2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 171995190
2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 171994745
2-cyclopropyl-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830210
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 165434167
2-cyclopropyl-4-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 171705340
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948123
2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992968

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone (CID 171995086) is 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone is O=C(CC1CCN(c2nccn3nc(C4CC4)cc23)CC1)N1CCSCC1.
What is the InChIKey of 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The InChIKey is JRODVEDDNMZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c26-19(23-9-11-27-12-10-23)13-15-3-6-24(7-4-15)20-18-14-17(16-1-2-16)22-25(18)8-5-21-20/h5,8,14-16H,1-4,6-7,9-13H2.
What are the key properties of 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone has a molecular weight of 385.54 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 171995086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).