2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone

C22H23F3N4O3 — CID 50791377

IUPAC2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone
SMILESCCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)N4CCOCC4)nc32)cc1
InChIInChI=1S/C22H23F3N4O3/c1-3-15-4-6-16(7-5-15)29-21-20(14(2)27-29)17(22(23,24)25)12-18(26-21)32-13-19(30)28-8-10-31-11-9-28/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyMFCNGHLKKQZLQF-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.55
Rot. Bonds5

About 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone

2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 50791377) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone
PubChem CID50791377
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC Name2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone
SMILESCCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)N4CCOCC4)nc32)cc1
InChIInChI=1S/C22H23F3N4O3/c1-3-15-4-6-16(7-5-15)29-21-20(14(2)27-29)17(22(23,24)25)12-18(26-21)32-13-19(30)28-8-10-31-11-9-28/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyMFCNGHLKKQZLQF-UHFFFAOYSA-N
XLogP3.55
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methylphenyl)acetamide
CID 50791265
N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791540
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 50791402
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 94078983
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 94078982
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 50791243
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791122
N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791149
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 50799148
2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide
CID 50791483
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 50799159
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone (CID 50791377) is 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone is CCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)N4CCOCC4)nc32)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is MFCNGHLKKQZLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-3-15-4-6-16(7-5-15)29-21-20(14(2)27-29)17(22(23,24)25)12-18(26-21)32-13-19(30)28-8-10-31-11-9-28/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone?
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 448.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 50791377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).