ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C20H22N4O2 — CID 162653338

IUPACethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCCCC1
InChIInChI=1S/C20H22N4O2/c1-2-26-20(25)17-13-21-19-16(18(17)23-11-7-4-8-12-23)14-22-24(19)15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3
InChIKeyANZKUMUZEDXLCU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.59
Rot. Bonds4

About ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 162653338) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID162653338
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Nameethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCCCC1
InChIInChI=1S/C20H22N4O2/c1-2-26-20(25)17-13-21-19-16(18(17)23-11-7-4-8-12-23)14-22-24(19)15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3
InChIKeyANZKUMUZEDXLCU-UHFFFAOYSA-N
XLogP3.59
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Etazolate
CID 3277
Etazolate Hydrochloride
CID 37274
Tracazolate
CID 5522
Cartazolate
CID 37015
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
Ridine-5-carboxylic acid ethyl ester
CID 14590509
Pyrazolo pyridine, 11
CID 44246252
Ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
ethyl 4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1481686

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 162653338) is ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCCCC1.
What is the InChIKey of ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is ANZKUMUZEDXLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-26-20(25)17-13-21-19-16(18(17)23-11-7-4-8-12-23)14-22-24(19)15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3.
What are the key properties of ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 162653338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).