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

C29H27N3O2 — CID 3084918

IUPAC7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C29H27N3O2/c1-5-31-18(3)25(20-12-7-9-15-23(20)31)29(27-22(28(33)34-29)14-11-17-30-27)26-19(4)32(6-2)24-16-10-8-13-21(24)26/h7-17H,5-6H2,1-4H3
InChIKeyJUXGNHBXUWJEHI-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.11
Rot. Bonds4

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

7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 3084918) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID3084918
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C29H27N3O2/c1-5-31-18(3)25(20-12-7-9-15-23(20)31)29(27-22(28(33)34-29)14-11-17-30-27)26-19(4)32(6-2)24-16-10-8-13-21(24)26/h7-17H,5-6H2,1-4H3
InChIKeyJUXGNHBXUWJEHI-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 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 3084918) is 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c2ccccc21.
What is the InChIKey of 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is JUXGNHBXUWJEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c1-5-31-18(3)25(20-12-7-9-15-23(20)31)29(27-22(28(33)34-29)14-11-17-30-27)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 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-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 7,7-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 3084918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).