1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C24H20F3N5O2 — CID 165167146

IUPAC1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccnc2ccnn12
InChIInChI=1S/C24H20F3N5O2/c1-2-16-14-19(6-7-20(16)34-22-9-10-28-21-8-11-29-32(21)22)31-13-12-30(23(31)33)18-5-3-4-17(15-18)24(25,26)27/h3-11,14-15H,2,12-13H2,1H3
InChIKeyKERYHLLZRZLGHN-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.55
Rot. Bonds5

About 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 165167146) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID165167146
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccnc2ccnn12
InChIInChI=1S/C24H20F3N5O2/c1-2-16-14-19(6-7-20(16)34-22-9-10-28-21-8-11-29-32(21)22)31-13-12-30(23(31)33)18-5-3-4-17(15-18)24(25,26)27/h3-11,14-15H,2,12-13H2,1H3
InChIKeyKERYHLLZRZLGHN-UHFFFAOYSA-N
XLogP5.55
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 58397001
3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 165167141
(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 165166989
3-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 165167137
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035768
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
CID 165167302
3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 14050274
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25097429
3-[4-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-propan-2-ylphenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 165167362
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
1-(2,4,5-trichlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13121907

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 165167146) is 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)ccc1Oc1ccnc2ccnn12.
What is the InChIKey of 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is KERYHLLZRZLGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-2-16-14-19(6-7-20(16)34-22-9-10-28-21-8-11-29-32(21)22)31-13-12-30(23(31)33)18-5-3-4-17(15-18)24(25,26)27/h3-11,14-15H,2,12-13H2,1H3.
What are the key properties of 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 467.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 165167146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).