methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

C20H15N3O5 — CID 9115095

IUPACmethyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccco2)nc2c1cnn2Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H15N3O5/c1-25-20(24)13-8-15(16-3-2-6-26-16)22-19-14(13)9-21-23(19)10-12-4-5-17-18(7-12)28-11-27-17/h2-9H,10-11H2,1H3
InChIKeySJDGOVUHSSVPDW-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.25
Rot. Bonds4

About methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 9115095) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID9115095
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Namemethyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccco2)nc2c1cnn2Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H15N3O5/c1-25-20(24)13-8-15(16-3-2-6-26-16)22-19-14(13)9-21-23(19)10-12-4-5-17-18(7-12)28-11-27-17/h2-9H,10-11H2,1H3
InChIKeySJDGOVUHSSVPDW-UHFFFAOYSA-N
XLogP3.25
TPSA88.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 9115095) is methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccco2)nc2c1cnn2Cc1ccc2c(c1)OCO2.
What is the InChIKey of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is SJDGOVUHSSVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-25-20(24)13-8-15(16-3-2-6-26-16)22-19-14(13)9-21-23(19)10-12-4-5-17-18(7-12)28-11-27-17/h2-9H,10-11H2,1H3.
What are the key properties of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 377.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 9115095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).