ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C20H24N4O3 — CID 133456709

IUPACethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1NCc1ccc(C)c(OC)c1
InChIInChI=1S/C20H24N4O3/c1-6-27-20(25)15-11-22-19-17(13(3)23-24(19)4)18(15)21-10-14-8-7-12(2)16(9-14)26-5/h7-9,11H,6,10H2,1-5H3,(H,21,22)
InChIKeyZXAVSVCJBTWKMC-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.38
Rot. Bonds6

About ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 133456709) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID133456709
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1NCc1ccc(C)c(OC)c1
InChIInChI=1S/C20H24N4O3/c1-6-27-20(25)15-11-22-19-17(13(3)23-24(19)4)18(15)21-10-14-8-7-12(2)16(9-14)26-5/h7-9,11H,6,10H2,1-5H3,(H,21,22)
InChIKeyZXAVSVCJBTWKMC-UHFFFAOYSA-N
XLogP3.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133455975
ethyl 4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456817
ethyl 4-[[4-(furan-2-carbonylamino)phenyl]methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466379
ethyl 1,3-dimethyl-4-[[(E)-pent-3-enyl]amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458162
ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175
ethyl 1-ethyl-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473452
ethyl 4-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458144
N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 50826708
ethyl 4-[(1-ethylpiperidin-4-yl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466163
4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86691177
ethyl 4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458386
ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466557

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 133456709) is ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1NCc1ccc(C)c(OC)c1.
What is the InChIKey of ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is ZXAVSVCJBTWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-6-27-20(25)15-11-22-19-17(13(3)23-24(19)4)18(15)21-10-14-8-7-12(2)16(9-14)26-5/h7-9,11H,6,10H2,1-5H3,(H,21,22).
What are the key properties of ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 133456709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).