[2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

C23H26N4O4 — CID 8907139

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C23H26N4O4/c1-13(2)20-10-17(18-11-24-27(14(3)4)22(18)26-20)23(30)31-12-21(29)25-19-9-7-6-8-16(19)15(5)28/h6-11,13-14H,12H2,1-5H3,(H,25,29)
InChIKeyMXWDCMBHODAGNG-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.13
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

[2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 8907139) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID8907139
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C23H26N4O4/c1-13(2)20-10-17(18-11-24-27(14(3)4)22(18)26-20)23(30)31-12-21(29)25-19-9-7-6-8-16(19)15(5)28/h6-11,13-14H,12H2,1-5H3,(H,25,29)
InChIKeyMXWDCMBHODAGNG-UHFFFAOYSA-N
XLogP4.13
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 30753650
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8906741
[2-(2,5-dichloroanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 26179679
[2-(2,5-difluoroanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8906745
benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 26179748
[2-(4-cyanoanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907935
[2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 41472484
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907118
cyanomethyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907541
[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

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 8907139) is [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is MXWDCMBHODAGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-13(2)20-10-17(18-11-24-27(14(3)4)22(18)26-20)23(30)31-12-21(29)25-19-9-7-6-8-16(19)15(5)28/h6-11,13-14H,12H2,1-5H3,(H,25,29).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 8907139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).