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

C20H17N3O3 — CID 2998692

IUPACethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C20H17N3O3/c1-3-25-20(24)15-12-16(17-10-7-11-26-17)21-19-18(15)13(2)22-23(19)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3
InChIKeyNIKOGSHEFBGJHR-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.17
Rot. Bonds4

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

ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2998692) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2998692
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Nameethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C20H17N3O3/c1-3-25-20(24)15-12-16(17-10-7-11-26-17)21-19-18(15)13(2)22-23(19)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3
InChIKeyNIKOGSHEFBGJHR-UHFFFAOYSA-N
XLogP4.17
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 2998692) is ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is NIKOGSHEFBGJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-3-25-20(24)15-12-16(17-10-7-11-26-17)21-19-18(15)13(2)22-23(19)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2998692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).