(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

C20H22F3N5OS — CID 46955677

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)cc2n1
InChIInChI=1S/C20H22F3N5OS/c1-4-14-9-16(20(21,22)23)28-17(25-14)10-15(26-28)13-5-7-27(8-6-13)19(29)18-11(2)24-12(3)30-18/h9-10,13H,4-8H2,1-3H3
InChIKeyDLYRVFTVFBLTQZ-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.40
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 46955677) has the molecular formula C20H22F3N5OS and a molecular weight of 437.49 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID46955677
Molecular FormulaC20H22F3N5OS
Molecular Weight437.49 g/mol
Exact Mass437.15
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)cc2n1
InChIInChI=1S/C20H22F3N5OS/c1-4-14-9-16(20(21,22)23)28-17(25-14)10-15(26-28)13-5-7-27(8-6-13)19(29)18-11(2)24-12(3)30-18/h9-10,13H,4-8H2,1-3H3
InChIKeyDLYRVFTVFBLTQZ-UHFFFAOYSA-N
XLogP4.40
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 46955677) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)cc2n1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is DLYRVFTVFBLTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5OS/c1-4-14-9-16(20(21,22)23)28-17(25-14)10-15(26-28)13-5-7-27(8-6-13)19(29)18-11(2)24-12(3)30-18/h9-10,13H,4-8H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 437.49 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46955677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).