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

C21H24N4O2 — CID 67209378

IUPAC2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)cc1
InChIInChI=1S/C21H24N4O2/c1-13-4-6-15(7-5-13)11-22-17(26)12-27-18-10-14(2)19-20(16-8-9-16)24-25(3)21(19)23-18/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,22,26)
InChIKeyWAKWKFIDAWDMJO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds6

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

2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 67209378) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
PubChem CID67209378
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)cc1
InChIInChI=1S/C21H24N4O2/c1-13-4-6-15(7-5-13)11-22-17(26)12-27-18-10-14(2)19-20(16-8-9-16)24-25(3)21(19)23-18/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,22,26)
InChIKeyWAKWKFIDAWDMJO-UHFFFAOYSA-N
XLogP3.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 67209555
1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-6-phenylhexan-2-one
CID 159423180
1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-3-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]propan-2-one
CID 149184977
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
1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one
CID 157427721
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
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 67209699
N-benzyl-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799160
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 67209700
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 50791157
N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790091
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799254

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide (CID 67209378) is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)cc1.
What is the InChIKey of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is WAKWKFIDAWDMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-4-6-15(7-5-13)11-22-17(26)12-27-18-10-14(2)19-20(16-8-9-16)24-25(3)21(19)23-18/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,22,26).
What are the key properties of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 67209378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).