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

C19H20F3N5OS — CID 46955678

IUPAC[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4scnc4C)CC3)cc2n1
InChIInChI=1S/C19H20F3N5OS/c1-3-13-8-15(19(20,21)22)27-16(24-13)9-14(25-27)12-4-6-26(7-5-12)18(28)17-11(2)23-10-29-17/h8-10,12H,3-7H2,1-2H3
InChIKeyVLAFUSZBDVLKAZ-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.10
Rot. Bonds3

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

[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 46955678) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID46955678
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC Name[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4scnc4C)CC3)cc2n1
InChIInChI=1S/C19H20F3N5OS/c1-3-13-8-15(19(20,21)22)27-16(24-13)9-14(25-27)12-4-6-26(7-5-12)18(28)17-11(2)23-10-29-17/h8-10,12H,3-7H2,1-2H3
InChIKeyVLAFUSZBDVLKAZ-UHFFFAOYSA-N
XLogP4.10
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 46955678) is [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4scnc4C)CC3)cc2n1.
What is the InChIKey of [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is VLAFUSZBDVLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-3-13-8-15(19(20,21)22)27-16(24-13)9-14(25-27)12-4-6-26(7-5-12)18(28)17-11(2)23-10-29-17/h8-10,12H,3-7H2,1-2H3.
What are the key properties of [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 423.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 46955678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).