7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

C31H27N3O3 — CID 22644173

IUPAC7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1c(-c2ccncc2)cccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C31H27N3O3/c1-4-34-20(3)27(23-10-6-7-14-26(23)34)31(29-24(30(35)37-31)12-9-17-33-29)25-13-8-11-22(28(25)36-5-2)21-15-18-32-19-16-21/h6-19H,4-5H2,1-3H3
InChIKeyKSNPCPCFTVKNCA-UHFFFAOYSA-N
MW489.58 g/mol
LogP6.29
Rot. Bonds6

About 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 22644173) has the molecular formula C31H27N3O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID22644173
Molecular FormulaC31H27N3O3
Molecular Weight489.58 g/mol
Exact Mass489.21
IUPAC Name7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1c(-c2ccncc2)cccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C31H27N3O3/c1-4-34-20(3)27(23-10-6-7-14-26(23)34)31(29-24(30(35)37-31)12-9-17-33-29)25-13-8-11-22(28(25)36-5-2)21-15-18-32-19-16-21/h6-19H,4-5H2,1-3H3
InChIKeyKSNPCPCFTVKNCA-UHFFFAOYSA-N
XLogP6.29
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 22644173) is 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCOc1c(-c2ccncc2)cccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.
What is the InChIKey of 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is KSNPCPCFTVKNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O3/c1-4-34-20(3)27(23-10-6-7-14-26(23)34)31(29-24(30(35)37-31)12-9-17-33-29)25-13-8-11-22(28(25)36-5-2)21-15-18-32-19-16-21/h6-19H,4-5H2,1-3H3.
What are the key properties of 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 489.58 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxy-3-pyridin-4-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22644173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).