3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid

C24H24N2O3 — CID 21243262

IUPAC3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]cc(CCCCN3CCc4c(oc5ccccc45)C3)c12
InChIInChI=1S/C24H24N2O3/c27-24(28)19-8-5-9-20-23(19)16(14-25-20)6-3-4-12-26-13-11-18-17-7-1-2-10-21(17)29-22(18)15-26/h1-2,5,7-10,14,25H,3-4,6,11-13,15H2,(H,27,28)
InChIKeyYPUZJGHKWJROBA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.99
Rot. Bonds6

About 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid

3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid (PubChem CID 21243262) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid
PubChem CID21243262
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]cc(CCCCN3CCc4c(oc5ccccc45)C3)c12
InChIInChI=1S/C24H24N2O3/c27-24(28)19-8-5-9-20-23(19)16(14-25-20)6-3-4-12-26-13-11-18-17-7-1-2-10-21(17)29-22(18)15-26/h1-2,5,7-10,14,25H,3-4,6,11-13,15H2,(H,27,28)
InChIKeyYPUZJGHKWJROBA-UHFFFAOYSA-N
XLogP4.99
TPSA69.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid 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

3-[4-(9-hydroxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid
CID 21243240
3-[4-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl)butyl]-1H-indole-5-carboxylic acid
CID 21243328
2-heptyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559333
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
2-[4-(1H-indol-3-yl)butyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine 9,9-dioxide
CID 21243271
2-butyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559327
3-(ethylsulfonylmethyl)-1H-indole-4-carboxylic acid
CID 117171550
3-[4-(1,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydroindeno[2,1-c]pyridin-2-yl)butyl]-1H-indole-7-carboxylic acid
CID 56986015
1,3-bis(4-piperidin-1-ylbutyl)dibenzofuran-2,6-dicarboxylic acid
CID 21419601
(2R)-2-[2-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-yl)-2-oxoethyl]-6-(1H-indol-3-yl)hexanoic acid
CID 70106089
3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
CID 23623279
3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole
CID 70045088

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid?
The IUPAC name of 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid (CID 21243262) is 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid.
What is the SMILES notation for 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid?
The canonical SMILES for 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid is O=C(O)c1cccc2[nH]cc(CCCCN3CCc4c(oc5ccccc45)C3)c12.
What is the InChIKey of 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid?
The InChIKey is YPUZJGHKWJROBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24(28)19-8-5-9-20-23(19)16(14-25-20)6-3-4-12-26-13-11-18-17-7-1-2-10-21(17)29-22(18)15-26/h1-2,5,7-10,14,25H,3-4,6,11-13,15H2,(H,27,28).
What are the key properties of 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid?
3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid is sourced from PubChem (CID 21243262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).