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

C18H25N5OS — CID 165432476

IUPAC[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cc(N2CCC(C(=O)N3CCSCC3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C18H25N5OS/c1-13-12-17(23-16(19-13)11-14(2)20-23)21-5-3-15(4-6-21)18(24)22-7-9-25-10-8-22/h11-12,15H,3-10H2,1-2H3
InChIKeyUCWMUFPJBVBEBM-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.14
Rot. Bonds2

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

[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 165432476) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID165432476
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cc(N2CCC(C(=O)N3CCSCC3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C18H25N5OS/c1-13-12-17(23-16(19-13)11-14(2)20-23)21-5-3-15(4-6-21)18(24)22-7-9-25-10-8-22/h11-12,15H,3-10H2,1-2H3
InChIKeyUCWMUFPJBVBEBM-UHFFFAOYSA-N
XLogP2.14
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994133
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
[4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 163343507
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 172892419
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172902959
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 74251345
[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 11688373
2,5-dimethyl-7-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 126947537
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821742
[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357830
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 165432476) is [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is Cc1cc(N2CCC(C(=O)N3CCSCC3)CC2)n2nc(C)cc2n1.
What is the InChIKey of [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is UCWMUFPJBVBEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-12-17(23-16(19-13)11-14(2)20-23)21-5-3-15(4-6-21)18(24)22-7-9-25-10-8-22/h11-12,15H,3-10H2,1-2H3.
What are the key properties of [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 359.50 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 165432476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).