ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate

C23H19N3O4 — CID 155684834

IUPACethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C23H19N3O4/c1-3-30-23(28)17-13-18(14-9-11-16(12-10-14)22(27)29-2)24-21-19(17)20(25-26-21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyXCNQUVIZHGPVGT-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.26
Rot. Bonds5

About ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate

ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 155684834) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID155684834
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Nameethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C23H19N3O4/c1-3-30-23(28)17-13-18(14-9-11-16(12-10-14)22(27)29-2)24-21-19(17)20(25-26-21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyXCNQUVIZHGPVGT-UHFFFAOYSA-N
XLogP4.26
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(4-methoxycarbonylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684810
ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684827
ethyl 6-(4-methoxycarbonylphenyl)-3-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684703
ethyl 3-(4-ethylphenyl)-6-[4-(2-methoxy-2-oxoethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684642
6-(4-ethylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548899
6-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548804
ethyl 3-(4-ethylphenyl)-6-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684797
6-(3-bromophenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548932
ethyl 6-(2,5-difluoro-4-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684777
6-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426563
ethyl 4-[3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate
CID 58565892
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate (CID 155684834) is ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)nc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is XCNQUVIZHGPVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-3-30-23(28)17-13-18(14-9-11-16(12-10-14)22(27)29-2)24-21-19(17)20(25-26-21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,24,25,26).
What are the key properties of ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 155684834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).