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

C31H33N3O3 — CID 154212353

IUPAC7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1cc(N2CCCCC2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C31H33N3O3/c1-4-34-21(3)28(23-12-7-8-14-26(23)34)31(29-24(30(35)37-31)13-11-17-32-29)25-16-15-22(20-27(25)36-5-2)33-18-9-6-10-19-33/h7-8,11-17,20H,4-6,9-10,18-19H2,1-3H3
InChIKeyCKNKKMLZYGHJGW-UHFFFAOYSA-N
MW495.62 g/mol
LogP6.22
Rot. Bonds6

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

7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 154212353) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID154212353
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCOc1cc(N2CCCCC2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
InChIInChI=1S/C31H33N3O3/c1-4-34-21(3)28(23-12-7-8-14-26(23)34)31(29-24(30(35)37-31)13-11-17-32-29)25-16-15-22(20-27(25)36-5-2)33-18-9-6-10-19-33/h7-8,11-17,20H,4-6,9-10,18-19H2,1-3H3
InChIKeyCKNKKMLZYGHJGW-UHFFFAOYSA-N
XLogP6.22
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 154212353) is 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCOc1cc(N2CCCCC2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.
What is the InChIKey of 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is CKNKKMLZYGHJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-4-34-21(3)28(23-12-7-8-14-26(23)34)31(29-24(30(35)37-31)13-11-17-32-29)25-16-15-22(20-27(25)36-5-2)33-18-9-6-10-19-33/h7-8,11-17,20H,4-6,9-10,18-19H2,1-3H3.
What are the key properties of 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 495.62 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 154212353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).