N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide

C17H18N4O3 — CID 18151329

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1
InChIInChI=1S/C17H18N4O3/c1-11-15-8-12(9-18-17(15)21(2)20-11)19-16(22)10-24-14-6-4-13(23-3)5-7-14/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyAQHDDHXUEXDMFJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.30
Rot. Bonds5

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 18151329) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID18151329
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1
InChIInChI=1S/C17H18N4O3/c1-11-15-8-12(9-18-17(15)21(2)20-11)19-16(22)10-24-14-6-4-13(23-3)5-7-14/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyAQHDDHXUEXDMFJ-UHFFFAOYSA-N
XLogP2.30
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334468
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55515590
2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 37032202
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753832
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
CID 51334598
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 31520101
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51334670
(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95568106

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide (CID 18151329) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is AQHDDHXUEXDMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-15-8-12(9-18-17(15)21(2)20-11)19-16(22)10-24-14-6-4-13(23-3)5-7-14/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 18151329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).