3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine

C20H20FN5O — CID 57456753

IUPAC3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1c(Cn2ccnc2-c2cccc(F)c2)nn2c(OC)cc(C)nc12
InChIInChI=1S/C20H20FN5O/c1-4-16-17(24-26-18(27-3)10-13(2)23-20(16)26)12-25-9-8-22-19(25)14-6-5-7-15(21)11-14/h5-11H,4,12H2,1-3H3
InChIKeyZTFUUQFFFLHISK-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.66
Rot. Bonds5

About 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine

3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 57456753) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID57456753
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1c(Cn2ccnc2-c2cccc(F)c2)nn2c(OC)cc(C)nc12
InChIInChI=1S/C20H20FN5O/c1-4-16-17(24-26-18(27-3)10-13(2)23-20(16)26)12-25-9-8-22-19(25)14-6-5-7-15(21)11-14/h5-11H,4,12H2,1-3H3
InChIKeyZTFUUQFFFLHISK-UHFFFAOYSA-N
XLogP3.66
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine
CID 10401507
N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide
CID 20633141
6-chloro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-methylimidazo[1,2-a]pyridine
CID 22335051
3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812067
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200
3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
CID 63985676
3-[1-[(2,4-difluorophenyl)methyl]imidazol-2-yl]aniline
CID 62197808
2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
CID 22380244
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
(4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone
CID 42730290

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine (CID 57456753) is 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine is CCc1c(Cn2ccnc2-c2cccc(F)c2)nn2c(OC)cc(C)nc12.
What is the InChIKey of 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZTFUUQFFFLHISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-4-16-17(24-26-18(27-3)10-13(2)23-20(16)26)12-25-9-8-22-19(25)14-6-5-7-15(21)11-14/h5-11H,4,12H2,1-3H3.
What are the key properties of 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine?
3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 365.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 57456753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).