ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

C20H16ClN3O3 — CID 3316323

IUPACethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1cccc(Cl)c1
InChIInChI=1S/C20H16ClN3O3/c1-3-26-20(25)15-11-16(17-8-5-9-27-17)22-19-18(15)12(2)23-24(19)14-7-4-6-13(21)10-14/h4-11H,3H2,1-2H3
InChIKeyQEPZSJRMSHIRBH-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.82
Rot. Bonds4

About ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 3316323) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID3316323
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Nameethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1cccc(Cl)c1
InChIInChI=1S/C20H16ClN3O3/c1-3-26-20(25)15-11-16(17-8-5-9-27-17)22-19-18(15)12(2)23-24(19)14-7-4-6-13(21)10-14/h4-11H,3H2,1-2H3
InChIKeyQEPZSJRMSHIRBH-UHFFFAOYSA-N
XLogP4.82
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 3316323) is ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1cccc(Cl)c1.
What is the InChIKey of ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is QEPZSJRMSHIRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-3-26-20(25)15-11-16(17-8-5-9-27-17)22-19-18(15)12(2)23-24(19)14-7-4-6-13(21)10-14/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 381.82 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 3316323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).