1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one

C22H26F3N5O3 — CID 169318813

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one
SMILESCCn1cc(Cn2c(C)c(C)n(-c3cc(C(F)(F)F)cc(OCC4CCCO4)n3)c2=O)cn1
InChIInChI=1S/C22H26F3N5O3/c1-4-28-11-16(10-26-28)12-29-14(2)15(3)30(21(29)31)19-8-17(22(23,24)25)9-20(27-19)33-13-18-6-5-7-32-18/h8-11,18H,4-7,12-13H2,1-3H3
InChIKeyFHRKESYHEXQICH-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.49
Rot. Bonds7

About 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one

1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one (PubChem CID 169318813) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one
PubChem CID169318813
Molecular FormulaC22H26F3N5O3
Molecular Weight465.48 g/mol
Exact Mass465.20
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one
SMILESCCn1cc(Cn2c(C)c(C)n(-c3cc(C(F)(F)F)cc(OCC4CCCO4)n3)c2=O)cn1
InChIInChI=1S/C22H26F3N5O3/c1-4-28-11-16(10-26-28)12-29-14(2)15(3)30(21(29)31)19-8-17(22(23,24)25)9-20(27-19)33-13-18-6-5-7-32-18/h8-11,18H,4-7,12-13H2,1-3H3
InChIKeyFHRKESYHEXQICH-UHFFFAOYSA-N
XLogP3.49
TPSA76.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one with MolForge

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Related Compounds

N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719727
3-[3-[(2,2-difluorocyclopropyl)methoxy]-5-(trifluoromethyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-one
CID 168862898
2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine
CID 21330006
1-(1-ethylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965412
1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one
CID 168862926
6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773775
4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one
CID 42606892
3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79375195
1-[3-chloro-6-[(2R)-2-methylmorpholin-4-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[(1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-one
CID 168862957
6-(oxolan-2-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950568
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
CID 113391342
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one (CID 169318813) is 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one is CCn1cc(Cn2c(C)c(C)n(-c3cc(C(F)(F)F)cc(OCC4CCCO4)n3)c2=O)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one?
The InChIKey is FHRKESYHEXQICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c1-4-28-11-16(10-26-28)12-29-14(2)15(3)30(21(29)31)19-8-17(22(23,24)25)9-20(27-19)33-13-18-6-5-7-32-18/h8-11,18H,4-7,12-13H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one?
1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one has a molecular weight of 465.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one is sourced from PubChem (CID 169318813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).