3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one

C20H24F3N7O — CID 95797657

IUPAC3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1CCC(=O)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C20H24F3N7O/c1-13(2)17-24-8-12-29(17)11-6-16(31)28-9-4-14(5-10-28)15-3-7-25-19-26-18(20(21,22)23)27-30(15)19/h3,7-8,12-14H,4-6,9-11H2,1-2H3
InChIKeyMRWBWAVSYRNLHZ-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.26
Rot. Bonds5

About 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one

3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one (PubChem CID 95797657) has the molecular formula C20H24F3N7O and a molecular weight of 435.45 g/mol. Its IUPAC name is 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
PubChem CID95797657
Molecular FormulaC20H24F3N7O
Molecular Weight435.45 g/mol
Exact Mass435.20
IUPAC Name3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1CCC(=O)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C20H24F3N7O/c1-13(2)17-24-8-12-29(17)11-6-16(31)28-9-4-14(5-10-28)15-3-7-25-19-26-18(20(21,22)23)27-30(15)19/h3,7-8,12-14H,4-6,9-11H2,1-2H3
InChIKeyMRWBWAVSYRNLHZ-UHFFFAOYSA-N
XLogP3.26
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylbenzimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
CID 46950424
1-[1-oxo-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-2-yl]pyrrolidin-2-one
CID 16669536
1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 95797653
(5-tert-butyl-3-methylfuran-2-yl)-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 46950426
(4-amino-5-chloro-2-methoxyphenyl)-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 46950428
1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125004918
2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide
CID 98065966
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
3-(2-propan-2-ylimidazol-1-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124945186
2-thiophen-3-yl-1-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 110214093
(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120965772

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one (CID 95797657) is 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one is CC(C)c1nccn1CCC(=O)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1.
What is the InChIKey of 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one?
The InChIKey is MRWBWAVSYRNLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O/c1-13(2)17-24-8-12-29(17)11-6-16(31)28-9-4-14(5-10-28)15-3-7-25-19-26-18(20(21,22)23)27-30(15)19/h3,7-8,12-14H,4-6,9-11H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one?
3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one has a molecular weight of 435.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95797657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).