2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone

C19H27N5OS — CID 171994133

IUPAC2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
SMILESCc1cc(N2CCC(CC(=O)N3CCSCC3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C19H27N5OS/c1-14-12-18(24-17(20-14)11-15(2)21-24)22-5-3-16(4-6-22)13-19(25)23-7-9-26-10-8-23/h11-12,16H,3-10,13H2,1-2H3
InChIKeyUSLUXSGUTQFKCQ-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.53
Rot. Bonds3

About 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone

2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone (PubChem CID 171994133) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
PubChem CID171994133
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
SMILESCc1cc(N2CCC(CC(=O)N3CCSCC3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C19H27N5OS/c1-14-12-18(24-17(20-14)11-15(2)21-24)22-5-3-16(4-6-22)13-19(25)23-7-9-26-10-8-23/h11-12,16H,3-10,13H2,1-2H3
InChIKeyUSLUXSGUTQFKCQ-UHFFFAOYSA-N
XLogP2.53
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone with MolForge

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Related Compounds

[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165432476
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058
2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899976
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900344
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992977
2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171993086
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863098
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992978
2-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994690
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 74251345
7-[3-(fluoromethyl)piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 155941691

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone (CID 171994133) is 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone is Cc1cc(N2CCC(CC(=O)N3CCSCC3)CC2)n2nc(C)cc2n1.
What is the InChIKey of 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The InChIKey is USLUXSGUTQFKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-14-12-18(24-17(20-14)11-15(2)21-24)22-5-3-16(4-6-22)13-19(25)23-7-9-26-10-8-23/h11-12,16H,3-10,13H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone has a molecular weight of 373.53 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 171994133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).