4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

C22H24FN7O — CID 90266314

IUPAC4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESCc1nn2c(-c3ncn[nH]3)cc(N3CCOCC3)nc2c1Cc1cccc(CF)c1C
InChIInChI=1S/C22H24FN7O/c1-14-16(4-3-5-17(14)12-23)10-18-15(2)28-30-19(21-24-13-25-27-21)11-20(26-22(18)30)29-6-8-31-9-7-29/h3-5,11,13H,6-10,12H2,1-2H3,(H,24,25,27)
InChIKeyCUIJFYGWGSWMAX-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.03
Rot. Bonds5

About 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (PubChem CID 90266314) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
PubChem CID90266314
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESCc1nn2c(-c3ncn[nH]3)cc(N3CCOCC3)nc2c1Cc1cccc(CF)c1C
InChIInChI=1S/C22H24FN7O/c1-14-16(4-3-5-17(14)12-23)10-18-15(2)28-30-19(21-24-13-25-27-21)11-20(26-22(18)30)29-6-8-31-9-7-29/h3-5,11,13H,6-10,12H2,1-2H3,(H,24,25,27)
InChIKeyCUIJFYGWGSWMAX-UHFFFAOYSA-N
XLogP3.03
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 136609321
2-(aminomethyl)-2-(hydroxymethyl)propane-1,3-diol;2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 56927663
4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 71527716
3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 71270807
[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
CID 138739590
3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 134296167
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
[2-(difluoromethyl)-1-[[3-(fluoromethyl)-2-methylphenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]boronic acid
CID 90278362
4-[8-(1H-imidazol-5-yl)-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 137167628
3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 134296171
[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanamine
CID 134296165
4-[[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-1,4-thiazinane 1-oxide
CID 139514232

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The IUPAC name of 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (CID 90266314) is 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.
What is the SMILES notation for 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The canonical SMILES for 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is Cc1nn2c(-c3ncn[nH]3)cc(N3CCOCC3)nc2c1Cc1cccc(CF)c1C.
What is the InChIKey of 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The InChIKey is CUIJFYGWGSWMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-14-16(4-3-5-17(14)12-23)10-18-15(2)28-30-19(21-24-13-25-27-21)11-20(26-22(18)30)29-6-8-31-9-7-29/h3-5,11,13H,6-10,12H2,1-2H3,(H,24,25,27).
What are the key properties of 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine has a molecular weight of 421.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 90266314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).