ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C18H19Cl2N3O2 — CID 90809353

IUPACethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=Nc2[nH]ncc2C(c2c(Cl)cccc2Cl)C1C(=O)OCC
InChIInChI=1S/C18H19Cl2N3O2/c1-3-6-13-16(18(24)25-4-2)14(10-9-21-23-17(10)22-13)15-11(19)7-5-8-12(15)20/h5,7-9,14,16H,3-4,6H2,1-2H3,(H,21,23)
InChIKeyQZZHEIYFKPAPGE-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.91
Rot. Bonds5

About ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 90809353) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID90809353
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Nameethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=Nc2[nH]ncc2C(c2c(Cl)cccc2Cl)C1C(=O)OCC
InChIInChI=1S/C18H19Cl2N3O2/c1-3-6-13-16(18(24)25-4-2)14(10-9-21-23-17(10)22-13)15-11(19)7-5-8-12(15)20/h5,7-9,14,16H,3-4,6H2,1-2H3,(H,21,23)
InChIKeyQZZHEIYFKPAPGE-UHFFFAOYSA-N
XLogP4.91
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-ethylphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91245570
ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90752793
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-(2,5-dimethoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91206556
ethyl 6-propyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90986540
ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 91391062
ethyl 4-(2-chlorophenyl)-6-formyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91388299
ethyl 4-(3-chlorophenyl)-6-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91305632
4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 90732303
4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 90966764
ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 91297946

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 90809353) is ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCCC1=Nc2[nH]ncc2C(c2c(Cl)cccc2Cl)C1C(=O)OCC.
What is the InChIKey of ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is QZZHEIYFKPAPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-3-6-13-16(18(24)25-4-2)14(10-9-21-23-17(10)22-13)15-11(19)7-5-8-12(15)20/h5,7-9,14,16H,3-4,6H2,1-2H3,(H,21,23).
What are the key properties of ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 380.28 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 90809353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).