3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide

C21H22F4N4O2 — CID 86970961

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NC(c3ccc(F)cc3)C(F)(F)F)c(C)c12
InChIInChI=1S/C21H22F4N4O2/c1-11-15(12(2)26-19-17(11)20(31-4)28-29(19)3)9-10-16(30)27-18(21(23,24)25)13-5-7-14(22)8-6-13/h5-8,18H,9-10H2,1-4H3,(H,27,30)
InChIKeyHUGVIUXEBAMWHG-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.09
Rot. Bonds6

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 86970961) has the molecular formula C21H22F4N4O2 and a molecular weight of 438.43 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID86970961
Molecular FormulaC21H22F4N4O2
Molecular Weight438.43 g/mol
Exact Mass438.17
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NC(c3ccc(F)cc3)C(F)(F)F)c(C)c12
InChIInChI=1S/C21H22F4N4O2/c1-11-15(12(2)26-19-17(11)20(31-4)28-29(19)3)9-10-16(30)27-18(21(23,24)25)13-5-7-14(22)8-6-13/h5-8,18H,9-10H2,1-4H3,(H,27,30)
InChIKeyHUGVIUXEBAMWHG-UHFFFAOYSA-N
XLogP4.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55777701
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55652114
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86971040
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119607128
N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119570237
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55939785
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119641632
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide (CID 86970961) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NC(c3ccc(F)cc3)C(F)(F)F)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is HUGVIUXEBAMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N4O2/c1-11-15(12(2)26-19-17(11)20(31-4)28-29(19)3)9-10-16(30)27-18(21(23,24)25)13-5-7-14(22)8-6-13/h5-8,18H,9-10H2,1-4H3,(H,27,30).
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 438.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 86970961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).