2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide

C17H20N4O4 — CID 136826050

IUPAC2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3C)cc1OCC(N)=O
InChIInChI=1S/C17H20N4O4/c1-9-16-11(7-15(23)19-17(16)21(2)20-9)10-4-5-12(24-3)13(6-10)25-8-14(18)22/h4-6,11H,7-8H2,1-3H3,(H2,18,22)(H,19,23)/t11-/m0/s1
InChIKeyICZGOYXVGOJXME-NSHDSACASA-N
MW344.37 g/mol
LogP1.08
Rot. Bonds5

About 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide

2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide (PubChem CID 136826050) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
PubChem CID136826050
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3C)cc1OCC(N)=O
InChIInChI=1S/C17H20N4O4/c1-9-16-11(7-15(23)19-17(16)21(2)20-9)10-4-5-12(24-3)13(6-10)25-8-14(18)22/h4-6,11H,7-8H2,1-3H3,(H2,18,22)(H,19,23)/t11-/m0/s1
InChIKeyICZGOYXVGOJXME-NSHDSACASA-N
XLogP1.08
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-4-[(4S)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 136713751
2-[2-methoxy-5-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135632346
2-[4-[1-(1H-benzimidazol-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
CID 135656016
(4S)-1,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826258
2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide
CID 135634261
(4R)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878737
2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
CID 51973055
2-[4-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-oxo-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy]acetamide
CID 136833057
4-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 136861074
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
(4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953587
2-[2-methoxy-4-[(4S)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135906156

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide (CID 136826050) is 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide is COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3C)cc1OCC(N)=O.
What is the InChIKey of 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide?
The InChIKey is ICZGOYXVGOJXME-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O4/c1-9-16-11(7-15(23)19-17(16)21(2)20-9)10-4-5-12(24-3)13(6-10)25-8-14(18)22/h4-6,11H,7-8H2,1-3H3,(H2,18,22)(H,19,23)/t11-/m0/s1.
What are the key properties of 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide?
2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide has a molecular weight of 344.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 136826050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).