3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide

C16H18N6O4 — CID 142707665

IUPAC3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide
SMILESCOCC(Oc1ncnc2c1cnn2OC)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H18N6O4/c1-10-4-5-13(17-6-10)21-15(23)12(8-24-2)26-16-11-7-20-22(25-3)14(11)18-9-19-16/h4-7,9,12H,8H2,1-3H3,(H,17,21,23)
InChIKeyANPHDHMIUPUZIN-UHFFFAOYSA-N
MW358.36 g/mol
LogP0.62
Rot. Bonds7

About 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide

3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 142707665) has the molecular formula C16H18N6O4 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID142707665
Molecular FormulaC16H18N6O4
Molecular Weight358.36 g/mol
Exact Mass358.14
IUPAC Name3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide
SMILESCOCC(Oc1ncnc2c1cnn2OC)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H18N6O4/c1-10-4-5-13(17-6-10)21-15(23)12(8-24-2)26-16-11-7-20-22(25-3)14(11)18-9-19-16/h4-7,9,12H,8H2,1-3H3,(H,17,21,23)
InChIKeyANPHDHMIUPUZIN-UHFFFAOYSA-N
XLogP0.62
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide
CID 59279457
2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide
CID 59279543
2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 76550400
N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide
CID 76550410
(2R)-2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide
CID 57438605
(2S)-N-(5-cyano-2-pyridinyl)-3-(2-hydroxyethoxy)-2-[1-(5-isocyano-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide
CID 59279470
3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide
CID 66813245
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide
CID 143937639
2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
CID 81080952
3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yloxy]-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-fluoro-2-pyridinyl)propanamide
CID 76550493
3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yloxy]-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-cyano-2-pyridinyl)propanamide
CID 76550491
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide (CID 142707665) is 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide is COCC(Oc1ncnc2c1cnn2OC)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is ANPHDHMIUPUZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O4/c1-10-4-5-13(17-6-10)21-15(23)12(8-24-2)26-16-11-7-20-22(25-3)14(11)18-9-19-16/h4-7,9,12H,8H2,1-3H3,(H,17,21,23).
What are the key properties of 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide?
3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 358.36 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 142707665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).