3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

C21H26N4O3 — CID 86930368

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NC3CCCc4occc43)c(C)c12
InChIInChI=1S/C21H26N4O3/c1-12-14(13(2)22-20-19(12)21(27-4)24-25(20)3)8-9-18(26)23-16-6-5-7-17-15(16)10-11-28-17/h10-11,16H,5-9H2,1-4H3,(H,23,26)
InChIKeyLCKIATWYXXSJDO-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.31
Rot. Bonds5

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (PubChem CID 86930368) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
PubChem CID86930368
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NC3CCCc4occc43)c(C)c12
InChIInChI=1S/C21H26N4O3/c1-12-14(13(2)22-20-19(12)21(27-4)24-25(20)3)8-9-18(26)23-16-6-5-7-17-15(16)10-11-28-17/h10-11,16H,5-9H2,1-4H3,(H,23,26)
InChIKeyLCKIATWYXXSJDO-UHFFFAOYSA-N
XLogP3.31
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55723342
N-(1-cyanocyclohexyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 87012100
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 55650434
N-cyclooctyl-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615758
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119570237

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (CID 86930368) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NC3CCCc4occc43)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The InChIKey is LCKIATWYXXSJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-12-14(13(2)22-20-19(12)21(27-4)24-25(20)3)8-9-18(26)23-16-6-5-7-17-15(16)10-11-28-17/h10-11,16H,5-9H2,1-4H3,(H,23,26).
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is sourced from PubChem (CID 86930368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).