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

C29H27N3O2 — CID 3084932

IUPAC5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21
InChIInChI=1S/C29H27N3O2/c1-5-31-18(3)25(20-12-7-9-15-23(20)31)29(22-14-11-17-30-27(22)28(33)34-29)26-19(4)32(6-2)24-16-10-8-13-21(24)26/h7-17H,5-6H2,1-4H3
InChIKeyUXFQRLQOVIFPQK-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.11
Rot. Bonds4

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

5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one (PubChem CID 3084932) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
PubChem CID3084932
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21
InChIInChI=1S/C29H27N3O2/c1-5-31-18(3)25(20-12-7-9-15-23(20)31)29(22-14-11-17-30-27(22)28(33)34-29)26-19(4)32(6-2)24-16-10-8-13-21(24)26/h7-17H,5-6H2,1-4H3
InChIKeyUXFQRLQOVIFPQK-UHFFFAOYSA-N
XLogP6.11
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one?
The IUPAC name of 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one (CID 3084932) is 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one?
The canonical SMILES for 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one is CCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21.
What is the InChIKey of 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one?
The InChIKey is UXFQRLQOVIFPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c1-5-31-18(3)25(20-12-7-9-15-23(20)31)29(22-14-11-17-30-27(22)28(33)34-29)26-19(4)32(6-2)24-16-10-8-13-21(24)26/h7-17H,5-6H2,1-4H3.
What are the key properties of 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one?
5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one has a molecular weight of 449.55 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 3084932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).