ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate

C24H22N4O4 — CID 155684754

IUPACethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C(=O)OC)cn2)nc2n[nH]c(-c3ccc(CC)cc3)c12
InChIInChI=1S/C24H22N4O4/c1-4-14-6-8-15(9-7-14)21-20-17(24(30)32-5-2)12-19(26-22(20)28-27-21)18-11-10-16(13-25-18)23(29)31-3/h6-13H,4-5H2,1-3H3,(H,26,27,28)
InChIKeyGRHQNJCLMWUZFW-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.21
Rot. Bonds6

About ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate

ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 155684754) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID155684754
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Nameethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C(=O)OC)cn2)nc2n[nH]c(-c3ccc(CC)cc3)c12
InChIInChI=1S/C24H22N4O4/c1-4-14-6-8-15(9-7-14)21-20-17(24(30)32-5-2)12-19(26-22(20)28-27-21)18-11-10-16(13-25-18)23(29)31-3/h6-13H,4-5H2,1-3H3,(H,26,27,28)
InChIKeyGRHQNJCLMWUZFW-UHFFFAOYSA-N
XLogP4.21
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54771763
ethyl 4-[2-(2-methylprop-2-enoylamino)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599415
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[1,2-a][1,2,4]triazine-6-carboxylate
CID 23646537
ethyl 4-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)benzoate
CID 53325961
6-[4-(Hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600114
6-(4-Carbamoylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600400
6-(4-Carboxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600401
6-(4-Acetylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600676

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate (CID 155684754) is ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(C(=O)OC)cn2)nc2n[nH]c(-c3ccc(CC)cc3)c12.
What is the InChIKey of ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is GRHQNJCLMWUZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-4-14-6-8-15(9-7-14)21-20-17(24(30)32-5-2)12-19(26-22(20)28-27-21)18-11-10-16(13-25-18)23(29)31-3/h6-13H,4-5H2,1-3H3,(H,26,27,28).
What are the key properties of ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate?
ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylphenyl)-6-(5-methoxycarbonyl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 155684754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).