(2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate

C28H22N4O5 — CID 47011339

IUPAC(2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)c(OC)c1
InChIInChI=1S/C28H22N4O5/c1-35-25-14-20(27(33)36-2)8-9-24(25)37-28(34)21-15-23(19-6-4-3-5-7-19)31-26-22(21)16-30-32(26)17-18-10-12-29-13-11-18/h3-16H,17H2,1-2H3
InChIKeyUIEANLKSWDJICQ-UHFFFAOYSA-N
MW494.51 g/mol
LogP4.56
Rot. Bonds7

About (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate

(2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 47011339) has the molecular formula C28H22N4O5 and a molecular weight of 494.51 g/mol. Its IUPAC name is (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID47011339
Molecular FormulaC28H22N4O5
Molecular Weight494.51 g/mol
Exact Mass494.16
IUPAC Name(2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)c(OC)c1
InChIInChI=1S/C28H22N4O5/c1-35-25-14-20(27(33)36-2)8-9-24(25)37-28(34)21-15-23(19-6-4-3-5-7-19)31-26-22(21)16-30-32(26)17-18-10-12-29-13-11-18/h3-16H,17H2,1-2H3
InChIKeyUIEANLKSWDJICQ-UHFFFAOYSA-N
XLogP4.56
TPSA105.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 9464088
N,N-diethyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25336169
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41042469
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
[4-(1,3,4-oxadiazol-2-yl)phenyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 17455590
[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696785
(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 18131246
2-(pyridine-4-carbonylamino)ethyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 47585209
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25499383
[1-(cyclopropylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46698171
1-benzyl-N-(2-methylsulfonylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535001

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 47011339) is (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)c(OC)c1.
What is the InChIKey of (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is UIEANLKSWDJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O5/c1-35-25-14-20(27(33)36-2)8-9-24(25)37-28(34)21-15-23(19-6-4-3-5-7-19)31-26-22(21)16-30-32(26)17-18-10-12-29-13-11-18/h3-16H,17H2,1-2H3.
What are the key properties of (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
(2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 494.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 47011339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).