N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

C22H28N4O3 — CID 119046852

IUPACN-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1ccc(CC(CO)CNC(=O)COc2nn(C)c3nc(C)cc(C)c23)cc1
InChIInChI=1S/C22H28N4O3/c1-14-5-7-17(8-6-14)10-18(12-27)11-23-19(28)13-29-22-20-15(2)9-16(3)24-21(20)26(4)25-22/h5-9,18,27H,10-13H2,1-4H3,(H,23,28)
InChIKeyFOAZJUUYYGDUKD-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.24
Rot. Bonds8

About N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (PubChem CID 119046852) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
PubChem CID119046852
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1ccc(CC(CO)CNC(=O)COc2nn(C)c3nc(C)cc(C)c23)cc1
InChIInChI=1S/C22H28N4O3/c1-14-5-7-17(8-6-14)10-18(12-27)11-23-19(28)13-29-22-20-15(2)9-16(3)24-21(20)26(4)25-22/h5-9,18,27H,10-13H2,1-4H3,(H,23,28)
InChIKeyFOAZJUUYYGDUKD-UHFFFAOYSA-N
XLogP2.24
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 124682828
N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 51136014
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 86885142
1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124694501
2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 119046862
1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124697467
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 56573478
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 82350206
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 67209378
N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 166192889
N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 35819941
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 67209699

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (CID 119046852) is N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is Cc1ccc(CC(CO)CNC(=O)COc2nn(C)c3nc(C)cc(C)c23)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The InChIKey is FOAZJUUYYGDUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-5-7-17(8-6-14)10-18(12-27)11-23-19(28)13-29-22-20-15(2)9-16(3)24-21(20)26(4)25-22/h5-9,18,27H,10-13H2,1-4H3,(H,23,28).
What are the key properties of N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide has a molecular weight of 396.49 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is sourced from PubChem (CID 119046852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).