3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide

C21H32N4O4 — CID 55650434

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCCCOCC3CCCO3)c(C)c12
InChIInChI=1S/C21H32N4O4/c1-14-17(15(2)23-20-19(14)21(27-4)24-25(20)3)8-9-18(26)22-10-6-11-28-13-16-7-5-12-29-16/h16H,5-13H2,1-4H3,(H,22,26)
InChIKeyKWFHTVNTMCWNHD-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.23
Rot. Bonds10

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide (PubChem CID 55650434) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
PubChem CID55650434
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCCCOCC3CCCO3)c(C)c12
InChIInChI=1S/C21H32N4O4/c1-14-17(15(2)23-20-19(14)21(27-4)24-25(20)3)8-9-18(26)22-10-6-11-28-13-16-7-5-12-29-16/h16H,5-13H2,1-4H3,(H,22,26)
InChIKeyKWFHTVNTMCWNHD-UHFFFAOYSA-N
XLogP2.23
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55723342
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119561739
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 23603953
3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94079737
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94079742
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 50796369
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide (CID 55650434) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NCCCOCC3CCCO3)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The InChIKey is KWFHTVNTMCWNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-14-17(15(2)23-20-19(14)21(27-4)24-25(20)3)8-9-18(26)22-10-6-11-28-13-16-7-5-12-29-16/h16H,5-13H2,1-4H3,(H,22,26).
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide is sourced from PubChem (CID 55650434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).