ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate

C20H21N7O2 — CID 133455975

IUPACethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C20H21N7O2/c1-4-29-20(28)15-12-23-19-17(13(2)25-26(19)3)18(15)22-11-14-6-8-21-16(10-14)27-9-5-7-24-27/h5-10,12H,4,11H2,1-3H3,(H,22,23)
InChIKeyZZIDGBQHWYQYCW-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.65
Rot. Bonds6

About ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 133455975) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID133455975
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Nameethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C20H21N7O2/c1-4-29-20(28)15-12-23-19-17(13(2)25-26(19)3)18(15)22-11-14-6-8-21-16(10-14)27-9-5-7-24-27/h5-10,12H,4,11H2,1-3H3,(H,22,23)
InChIKeyZZIDGBQHWYQYCW-UHFFFAOYSA-N
XLogP2.65
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456709
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 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 32805788
ethyl 1,3-dimethyl-4-[[(E)-pent-3-enyl]amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458162
ethyl 1-ethyl-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473452
ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175
N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 50826708
ethyl 4-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458144
ethyl 4-[(1-ethylpiperidin-4-yl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466163
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 32805633
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate (CID 133455975) is ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is ZZIDGBQHWYQYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-4-29-20(28)15-12-23-19-17(13(2)25-26(19)3)18(15)22-11-14-6-8-21-16(10-14)27-9-5-7-24-27/h5-10,12H,4,11H2,1-3H3,(H,22,23).
What are the key properties of ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 391.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 133455975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).