N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide

C19H22N4O2 — CID 19487081

IUPACN-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C)c2c(-c3ccc(C)cc3)ccnc21
InChIInChI=1S/C19H22N4O2/c1-13-4-6-15(7-5-13)16-8-9-21-19-18(16)14(2)22-23(19)12-17(24)20-10-11-25-3/h4-9H,10-12H2,1-3H3,(H,20,24)
InChIKeyLXUFJPYPVJQKIF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.48
Rot. Bonds6

About N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide

N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19487081) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID19487081
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C)c2c(-c3ccc(C)cc3)ccnc21
InChIInChI=1S/C19H22N4O2/c1-13-4-6-15(7-5-13)16-8-9-21-19-18(16)14(2)22-23(19)12-17(24)20-10-11-25-3/h4-9H,10-12H2,1-3H3,(H,20,24)
InChIKeyLXUFJPYPVJQKIF-UHFFFAOYSA-N
XLogP2.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-methoxypropyl)acetamide
CID 19485148
N-(2,6-dimethylphenyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485302
N-cyclopentyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485247
N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489239
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485315
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485317
N-(4-acetamidophenyl)-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19505966
2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]acetamide
CID 19489329
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506001
N-[1-(4-methoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506042
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19484958
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487010

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19487081) is N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide is COCCNC(=O)Cn1nc(C)c2c(-c3ccc(C)cc3)ccnc21.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is LXUFJPYPVJQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-4-6-15(7-5-13)16-8-9-21-19-18(16)14(2)22-23(19)12-17(24)20-10-11-25-3/h4-9H,10-12H2,1-3H3,(H,20,24).
What are the key properties of N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19487081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).