N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide

C17H18N4O3 — CID 86843517

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
SMILESCc1[nH]nc2ncc(NC(=O)COCCOc3ccccc3)cc12
InChIInChI=1S/C17H18N4O3/c1-12-15-9-13(10-18-17(15)21-20-12)19-16(22)11-23-7-8-24-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyLIDIZDZQTLEHIB-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.30
Rot. Bonds7

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide (PubChem CID 86843517) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
PubChem CID86843517
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
SMILESCc1[nH]nc2ncc(NC(=O)COCCOc3ccccc3)cc12
InChIInChI=1S/C17H18N4O3/c1-12-15-9-13(10-18-17(15)21-20-12)19-16(22)11-23-7-8-24-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyLIDIZDZQTLEHIB-UHFFFAOYSA-N
XLogP2.30
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
CID 46485144
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
CID 49495181
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide
CID 86998252
(3S)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 97067339
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
3,4-dimethoxy-5-[[2-(2-phenoxyethoxy)acetyl]amino]benzoic acid
CID 119214155
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423376
1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 86843439

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide (CID 86843517) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide is Cc1[nH]nc2ncc(NC(=O)COCCOc3ccccc3)cc12.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide?
The InChIKey is LIDIZDZQTLEHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12-15-9-13(10-18-17(15)21-20-12)19-16(22)11-23-7-8-24-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 86843517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).