1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C16H16N4O2 — CID 24688178

IUPAC1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCON(C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C16H16N4O2/c1-19(22-2)16(21)14-8-13-10-18-20(15(13)17-9-14)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyQGEJLWZXYMPGIZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.11
Rot. Bonds4

About 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24688178) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24688178
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCON(C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C16H16N4O2/c1-19(22-2)16(21)14-8-13-10-18-20(15(13)17-9-14)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyQGEJLWZXYMPGIZ-UHFFFAOYSA-N
XLogP2.11
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86840006
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 99818647
1-benzyl-N-(2-ethoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87020146
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 86917444
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734
1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624443
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 24688178) is 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide is CON(C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QGEJLWZXYMPGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-19(22-2)16(21)14-8-13-10-18-20(15(13)17-9-14)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24688178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).