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

C27H23N3O2 — CID 139669511

IUPAC5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCCn1cc(C2(c3cn(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21
InChIInChI=1S/C27H23N3O2/c1-3-29-16-21(18-10-5-7-13-23(18)29)27(20-12-9-15-28-25(20)26(31)32-27)22-17-30(4-2)24-14-8-6-11-19(22)24/h5-17H,3-4H2,1-2H3
InChIKeyPBNWQIHUKCTGPV-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.49
Rot. Bonds4

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

5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one (PubChem CID 139669511) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one
PubChem CID139669511
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCCn1cc(C2(c3cn(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21
InChIInChI=1S/C27H23N3O2/c1-3-29-16-21(18-10-5-7-13-23(18)29)27(20-12-9-15-28-25(20)26(31)32-27)22-17-30(4-2)24-14-8-6-11-19(22)24/h5-17H,3-4H2,1-2H3
InChIKeyPBNWQIHUKCTGPV-UHFFFAOYSA-N
XLogP5.49
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669553
5,5-bis(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669542
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 68847413
7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 167157509
5-[4-(dimethylamino)phenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139885356
5-[4-(dimethylamino)-2-methylphenyl]-5-(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 138630759
5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 14177724
5-(1-butyl-2-methylindol-3-yl)-5-[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-7-one
CID 139669503
5,5-bis[2-(chloromethyl)-4-(dimethylamino)phenyl]furo[3,4-b]pyridin-7-one
CID 139642796
1-ethyl-3-(1-ethylimidazol-2-yl)indole
CID 110540406
5-methyl-5-propan-2-yloxyfuro[3,4-b]pyridin-7-one
CID 101092471
acetic acid;1-ethylindol-3-ol
CID 71405602

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one?
The IUPAC name of 5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one (CID 139669511) is 5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one?
The canonical SMILES for 5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one is CCn1cc(C2(c3cn(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21.
What is the InChIKey of 5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one?
The InChIKey is PBNWQIHUKCTGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-3-29-16-21(18-10-5-7-13-23(18)29)27(20-12-9-15-28-25(20)26(31)32-27)22-17-30(4-2)24-14-8-6-11-19(22)24/h5-17H,3-4H2,1-2H3.
What are the key properties of 5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one?
5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one has a molecular weight of 421.50 g/mol, XLogP of 5.49, 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-ethylindol-3-yl)furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 139669511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).