methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

C19H18N2O4 — CID 167887587

IUPACmethyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ncc(-c3ccc(OC4CCOC4)cc3)cc12
InChIInChI=1S/C19H18N2O4/c1-23-19(22)17-10-21-18-16(17)8-13(9-20-18)12-2-4-14(5-3-12)25-15-6-7-24-11-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,20,21)
InChIKeyGXFMIFXINCKAPL-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.18
Rot. Bonds4

About methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 167887587) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID167887587
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ncc(-c3ccc(OC4CCOC4)cc3)cc12
InChIInChI=1S/C19H18N2O4/c1-23-19(22)17-10-21-18-16(17)8-13(9-20-18)12-2-4-14(5-3-12)25-15-6-7-24-11-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,20,21)
InChIKeyGXFMIFXINCKAPL-UHFFFAOYSA-N
XLogP3.18
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (CID 167887587) is methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is COC(=O)c1c[nH]c2ncc(-c3ccc(OC4CCOC4)cc3)cc12.
What is the InChIKey of methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is GXFMIFXINCKAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-19(22)17-10-21-18-16(17)8-13(9-20-18)12-2-4-14(5-3-12)25-15-6-7-24-11-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,20,21).
What are the key properties of methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 167887587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).