4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine

C15H21N5S — CID 171328024

IUPAC4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine
SMILESc1cn2nccc2c(N2CCC(N3CCSCC3)CC2)n1
InChIInChI=1S/C15H21N5S/c1-4-17-20-8-5-16-15(14(1)20)19-6-2-13(3-7-19)18-9-11-21-12-10-18/h1,4-5,8,13H,2-3,6-7,9-12H2
InChIKeyWPPNNPAKSNXKAW-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.75
Rot. Bonds2

About 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine

4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine (PubChem CID 171328024) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine
PubChem CID171328024
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine
SMILESc1cn2nccc2c(N2CCC(N3CCSCC3)CC2)n1
InChIInChI=1S/C15H21N5S/c1-4-17-20-8-5-16-15(14(1)20)19-6-2-13(3-7-19)18-9-11-21-12-10-18/h1,4-5,8,13H,2-3,6-7,9-12H2
InChIKeyWPPNNPAKSNXKAW-UHFFFAOYSA-N
XLogP1.75
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435156
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104734120
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 166605461
4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine
CID 56857071
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-amine
CID 91811933
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 126891496
4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830011
4-[4-(2-chloroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446610
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 172903460
6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910135
(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine?
The IUPAC name of 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine (CID 171328024) is 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine is c1cn2nccc2c(N2CCC(N3CCSCC3)CC2)n1.
What is the InChIKey of 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine?
The InChIKey is WPPNNPAKSNXKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-4-17-20-8-5-16-15(14(1)20)19-6-2-13(3-7-19)18-9-11-21-12-10-18/h1,4-5,8,13H,2-3,6-7,9-12H2.
What are the key properties of 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine?
4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine has a molecular weight of 303.43 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)thiomorpholine is sourced from PubChem (CID 171328024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).