(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone

C17H20N6OS — CID 124966464

IUPAC(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC[C@@H]1c1cc(C)n2nccc2n1
InChIInChI=1S/C17H20N6OS/c1-3-12-16(25-21-20-12)17(24)22-9-5-4-6-14(22)13-10-11(2)23-15(19-13)7-8-18-23/h7-8,10,14H,3-6,9H2,1-2H3/t14-/m1/s1
InChIKeyIMBRHJKWRPXISQ-CQSZACIVSA-N
MW356.46 g/mol
LogP2.82
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone (PubChem CID 124966464) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
PubChem CID124966464
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC[C@@H]1c1cc(C)n2nccc2n1
InChIInChI=1S/C17H20N6OS/c1-3-12-16(25-21-20-12)17(24)22-9-5-4-6-14(22)13-10-11(2)23-15(19-13)7-8-18-23/h7-8,10,14H,3-6,9H2,1-2H3/t14-/m1/s1
InChIKeyIMBRHJKWRPXISQ-CQSZACIVSA-N
XLogP2.82
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone (CID 124966464) is (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCCC[C@@H]1c1cc(C)n2nccc2n1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone?
The InChIKey is IMBRHJKWRPXISQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-3-12-16(25-21-20-12)17(24)22-9-5-4-6-14(22)13-10-11(2)23-15(19-13)7-8-18-23/h7-8,10,14H,3-6,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone has a molecular weight of 356.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124966464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).