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

C30H29N3O2 — CID 139669553

IUPAC5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCCCCCn1cc(C2(c3cn(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21
InChIInChI=1S/C30H29N3O2/c1-3-5-10-18-33-20-25(22-13-7-9-16-27(22)33)30(23-14-11-17-31-28(23)29(34)35-30)24-19-32(4-2)26-15-8-6-12-21(24)26/h6-9,11-17,19-20H,3-5,10,18H2,1-2H3
InChIKeyBGQDBXNFHUKCIP-UHFFFAOYSA-N
MW463.58 g/mol
LogP6.66
Rot. Bonds7

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

5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one (PubChem CID 139669553) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one
PubChem CID139669553
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one
SMILESCCCCCn1cc(C2(c3cn(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21
InChIInChI=1S/C30H29N3O2/c1-3-5-10-18-33-20-25(22-13-7-9-16-27(22)33)30(23-14-11-17-31-28(23)29(34)35-30)24-19-32(4-2)26-15-8-6-12-21(24)26/h6-9,11-17,19-20H,3-5,10,18H2,1-2H3
InChIKeyBGQDBXNFHUKCIP-UHFFFAOYSA-N
XLogP6.66
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-bis(1-ethylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669511
5,5-bis(2-methyl-1-octylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 139669542
7-(1-butylindol-3-yl)-7-(1-butyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 167157509
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
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 68847413
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885872
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
7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 59881545
ethyl 1-hexyl-4-sulfanylidenequinoline-3-carboxylate
CID 129111778

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one?
The IUPAC name of 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one (CID 139669553) is 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one?
The canonical SMILES for 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one is CCCCCn1cc(C2(c3cn(CC)c4ccccc34)OC(=O)c3ncccc32)c2ccccc21.
What is the InChIKey of 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one?
The InChIKey is BGQDBXNFHUKCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-3-5-10-18-33-20-25(22-13-7-9-16-27(22)33)30(23-14-11-17-31-28(23)29(34)35-30)24-19-32(4-2)26-15-8-6-12-21(24)26/h6-9,11-17,19-20H,3-5,10,18H2,1-2H3.
What are the key properties of 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one?
5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one has a molecular weight of 463.58 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindol-3-yl)-5-(1-pentylindol-3-yl)furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 139669553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).