ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

C19H22ClN3O2 — CID 91391062

IUPACethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCC1=Nc2n[nH]c(C)c2C(c2ccccc2Cl)C1C(=O)OCC
InChIInChI=1S/C19H22ClN3O2/c1-4-8-14-17(19(24)25-5-2)16(12-9-6-7-10-13(12)20)15-11(3)22-23-18(15)21-14/h6-7,9-10,16-17H,4-5,8H2,1-3H3,(H,22,23)
InChIKeyADFMGRFZRBCLQF-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.57
Rot. Bonds5

About ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 91391062) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID91391062
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Nameethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCC1=Nc2n[nH]c(C)c2C(c2ccccc2Cl)C1C(=O)OCC
InChIInChI=1S/C19H22ClN3O2/c1-4-8-14-17(19(24)25-5-2)16(12-9-6-7-10-13(12)20)15-11(3)22-23-18(15)21-14/h6-7,9-10,16-17H,4-5,8H2,1-3H3,(H,22,23)
InChIKeyADFMGRFZRBCLQF-UHFFFAOYSA-N
XLogP4.57
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90809353
ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 91297946
ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 91149563
ethyl 4-(2-ethylphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91245570
ethyl 4-(2-fluorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91273068
ethyl 4-(2-nitrophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90999871
ethyl 4-(2-chlorophenyl)-6-formyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91388299
ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90752793
4-(2-chlorophenyl)-3-(2,2-dimethoxyethyl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 91071488
4-(2-chlorophenyl)-5-isocyano-3-naphthalen-2-yl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
CID 91136284
ethyl (2R,3R)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 129452981
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 91391062) is ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate is CCCC1=Nc2n[nH]c(C)c2C(c2ccccc2Cl)C1C(=O)OCC.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is ADFMGRFZRBCLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-4-8-14-17(19(24)25-5-2)16(12-9-6-7-10-13(12)20)15-11(3)22-23-18(15)21-14/h6-7,9-10,16-17H,4-5,8H2,1-3H3,(H,22,23).
What are the key properties of ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 359.86 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 91391062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).