[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C26H24N4O3 — CID 43024196

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)n1ncc2c(C(=O)OCC(=O)N3CCc4ccccc43)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H24N4O3/c1-17(2)30-25-21(15-27-30)20(14-22(28-25)18-8-4-3-5-9-18)26(32)33-16-24(31)29-13-12-19-10-6-7-11-23(19)29/h3-11,14-15,17H,12-13,16H2,1-2H3
InChIKeyVKSGPJWZQPGELA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.43
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 43024196) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID43024196
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)n1ncc2c(C(=O)OCC(=O)N3CCc4ccccc43)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H24N4O3/c1-17(2)30-25-21(15-27-30)20(14-22(28-25)18-8-4-3-5-9-18)26(32)33-16-24(31)29-13-12-19-10-6-7-11-23(19)29/h3-11,14-15,17H,12-13,16H2,1-2H3
InChIKeyVKSGPJWZQPGELA-UHFFFAOYSA-N
XLogP4.43
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8897790
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43024203
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 3289831
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30800134
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980450
propan-2-yl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46538389
[2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980481
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980412
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30800165
[2-(2,6-dichloroanilino)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30800169
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495889

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 43024196) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(C)n1ncc2c(C(=O)OCC(=O)N3CCc4ccccc43)cc(-c3ccccc3)nc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is VKSGPJWZQPGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17(2)30-25-21(15-27-30)20(14-22(28-25)18-8-4-3-5-9-18)26(32)33-16-24(31)29-13-12-19-10-6-7-11-23(19)29/h3-11,14-15,17H,12-13,16H2,1-2H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 43024196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).