4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate

C23H28N4O5 — CID 164784411

IUPAC4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate
SMILESCCOC(=O)c1c2c(nn1-c1ccc(C#N)cc1OCC)CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C23H28N4O5/c1-6-30-18-13-15(14-24)10-11-17(18)27-20(21(28)31-7-2)19-16(25-27)9-8-12-26(19)22(29)32-23(3,4)5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyUHKUMFVLYWAQQA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.01
Rot. Bonds5

About 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate

4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate (PubChem CID 164784411) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate
PubChem CID164784411
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate
SMILESCCOC(=O)c1c2c(nn1-c1ccc(C#N)cc1OCC)CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C23H28N4O5/c1-6-30-18-13-15(14-24)10-11-17(18)27-20(21(28)31-7-2)19-16(25-27)9-8-12-26(19)22(29)32-23(3,4)5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyUHKUMFVLYWAQQA-UHFFFAOYSA-N
XLogP4.01
TPSA106.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate
CID 164784443
tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine
CID 165052035
tert-butyl 4-[4-amino-1-(4-bromo-2-methoxyphenyl)-5-ethoxycarbonylpyrazole-3-carbonyl]piperidine-1-carboxylate
CID 164537588
tert-butyl 8-cyano-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83445612
tert-butyl 6-[1-(6-cyano-1H-benzimidazol-2-yl)cyclopropyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155390611
5-O-tert-butyl 2-O-ethyl 4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxylate
CID 131696389
tert-butyl 3-(4-cyano-2-ethoxyphenoxy)propanoate
CID 116659181
tert-butyl 6-cyano-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 117046424
tert-butyl 6-(4-ethoxy-4-oxobutan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 131724037
5-O-tert-butyl 2-O-ethyl 4-cyano-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate
CID 121229887
ethyl 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate
CID 6486814
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46522155

Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate (CID 164784411) is 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate is CCOC(=O)c1c2c(nn1-c1ccc(C#N)cc1OCC)CCCN2C(=O)OC(C)(C)C.
What is the InChIKey of 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate?
The InChIKey is UHKUMFVLYWAQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-6-30-18-13-15(14-24)10-11-17(18)27-20(21(28)31-7-2)19-16(25-27)9-8-12-26(19)22(29)32-23(3,4)5/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate?
4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate is sourced from PubChem (CID 164784411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).