2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide

C25H28N4O4 — CID 67209498

IUPAC2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2cc(C)c3c(-c4cc(C)oc4C)nn(C)c3n2)cc1
InChIInChI=1S/C25H28N4O4/c1-14-11-22(32-13-21(30)26-16(3)18-7-9-19(31-6)10-8-18)27-25-23(14)24(28-29(25)5)20-12-15(2)33-17(20)4/h7-12,16H,13H2,1-6H3,(H,26,30)
InChIKeyKQLLHRDEUYELHG-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.42
Rot. Bonds7

About 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide

2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 67209498) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID67209498
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2cc(C)c3c(-c4cc(C)oc4C)nn(C)c3n2)cc1
InChIInChI=1S/C25H28N4O4/c1-14-11-22(32-13-21(30)26-16(3)18-7-9-19(31-6)10-8-18)27-25-23(14)24(28-29(25)5)20-12-15(2)33-17(20)4/h7-12,16H,13H2,1-6H3,(H,26,30)
InChIKeyKQLLHRDEUYELHG-UHFFFAOYSA-N
XLogP4.42
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 67209700
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 67209699
2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 67209639
2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 67209358
2-[3-[2-fluoro-1-(methylideneamino)prop-1-enyl]-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 123464853
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799206
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
N-[1-(5-methylfuran-2-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 67209507
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide
CID 67209535
2-(4-bromo-3,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 132763195
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567363
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide (CID 67209498) is 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)COc2cc(C)c3c(-c4cc(C)oc4C)nn(C)c3n2)cc1.
What is the InChIKey of 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is KQLLHRDEUYELHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-14-11-22(32-13-21(30)26-16(3)18-7-9-19(31-6)10-8-18)27-25-23(14)24(28-29(25)5)20-12-15(2)33-17(20)4/h7-12,16H,13H2,1-6H3,(H,26,30).
What are the key properties of 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 67209498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).