ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

C19H16N2O4 — CID 126517704

IUPACethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)C1C2Oc3ccc(Oc4ccnc5[nH]ccc45)cc3C21
InChIInChI=1S/C19H16N2O4/c1-2-23-19(22)16-15-12-9-10(3-4-13(12)25-17(15)16)24-14-6-8-21-18-11(14)5-7-20-18/h3-9,15-17H,2H2,1H3,(H,20,21)
InChIKeyNFRDPHGEEJCROL-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.39
Rot. Bonds4

About ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (PubChem CID 126517704) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
PubChem CID126517704
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Nameethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)C1C2Oc3ccc(Oc4ccnc5[nH]ccc45)cc3C21
InChIInChI=1S/C19H16N2O4/c1-2-23-19(22)16-15-12-9-10(3-4-13(12)25-17(15)16)24-14-6-8-21-18-11(14)5-7-20-18/h3-9,15-17H,2H2,1H3,(H,20,21)
InChIKeyNFRDPHGEEJCROL-UHFFFAOYSA-N
XLogP3.39
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The IUPAC name of ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (CID 126517704) is ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.
What is the SMILES notation for ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The canonical SMILES for ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is CCOC(=O)C1C2Oc3ccc(Oc4ccnc5[nH]ccc45)cc3C21.
What is the InChIKey of ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The InChIKey is NFRDPHGEEJCROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-23-19(22)16-15-12-9-10(3-4-13(12)25-17(15)16)24-14-6-8-21-18-11(14)5-7-20-18/h3-9,15-17H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is sourced from PubChem (CID 126517704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).