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

C22H18N4O4 — CID 155684827

IUPACethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)nc2n[nH]c(-c3cccnc3)c12
InChIInChI=1S/C22H18N4O4/c1-3-30-22(28)16-11-17(13-6-8-14(9-7-13)21(27)29-2)24-20-18(16)19(25-26-20)15-5-4-10-23-12-15/h4-12H,3H2,1-2H3,(H,24,25,26)
InChIKeyGAPXRPPZNCQZFV-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.65
Rot. Bonds5

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

ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 155684827) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID155684827
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Nameethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)nc2n[nH]c(-c3cccnc3)c12
InChIInChI=1S/C22H18N4O4/c1-3-30-22(28)16-11-17(13-6-8-14(9-7-13)21(27)29-2)24-20-18(16)19(25-26-20)15-5-4-10-23-12-15/h4-12H,3H2,1-2H3,(H,24,25,26)
InChIKeyGAPXRPPZNCQZFV-UHFFFAOYSA-N
XLogP3.65
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684834
ethyl 6-(4-methoxycarbonylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684810
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-(pyridin-3-ylmethylsulfonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684797
3-(4-methylphenyl)-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 126458786
ethyl 3-(4-ethylphenyl)-6-[4-(2-methoxy-2-oxoethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684642
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274
6-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548804
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
ethyl 6-(2,5-difluoro-4-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684777
6-(4-ethylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548899

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate (CID 155684827) is ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)nc2n[nH]c(-c3cccnc3)c12.
What is the InChIKey of ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is GAPXRPPZNCQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-3-30-22(28)16-11-17(13-6-8-14(9-7-13)21(27)29-2)24-20-18(16)19(25-26-20)15-5-4-10-23-12-15/h4-12H,3H2,1-2H3,(H,24,25,26).
What are the key properties of ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 402.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 155684827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).