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

C19H21BrN4O2 — CID 67209700

IUPAC2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(Br)nn(C)c3n2)cc1
InChIInChI=1S/C19H21BrN4O2/c1-11-5-7-14(8-6-11)13(3)21-15(25)10-26-16-9-12(2)17-18(20)23-24(4)19(17)22-16/h5-9,13H,10H2,1-4H3,(H,21,25)/t13-/m0/s1
InChIKeyNFDVGCYZAYEFFQ-ZDUSSCGKSA-N
MW417.31 g/mol
LogP3.60
Rot. Bonds5

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

2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 67209700) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID67209700
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC Name2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(Br)nn(C)c3n2)cc1
InChIInChI=1S/C19H21BrN4O2/c1-11-5-7-14(8-6-11)13(3)21-15(25)10-26-16-9-12(2)17-18(20)23-24(4)19(17)22-16/h5-9,13H,10H2,1-4H3,(H,21,25)/t13-/m0/s1
InChIKeyNFDVGCYZAYEFFQ-ZDUSSCGKSA-N
XLogP3.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[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-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 67209498
N-[1-(4-methylphenyl)ethyl]-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 67209847
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799206
2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 94080313
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-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 67209358
2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide
CID 67209272
2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 67209227

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 67209700) is 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(Br)nn(C)c3n2)cc1.
What is the InChIKey of 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is NFDVGCYZAYEFFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c1-11-5-7-14(8-6-11)13(3)21-15(25)10-26-16-9-12(2)17-18(20)23-24(4)19(17)22-16/h5-9,13H,10H2,1-4H3,(H,21,25)/t13-/m0/s1.
What are the key properties of 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 417.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 67209700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).