1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one

C23H28N4O2 — CID 66966905

IUPAC1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCCN1CCN(c2nccc3occc23)CC1
InChIInChI=1S/C23H28N4O2/c28-21-5-3-4-20-18(21)7-12-26(20)11-2-1-10-25-13-15-27(16-14-25)23-19-8-17-29-22(19)6-9-24-23/h6-9,12,17H,1-5,10-11,13-16H2
InChIKeyBAGXMNJFQSMWFK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.75
Rot. Bonds6

About 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one

1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 66966905) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
PubChem CID66966905
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCCN1CCN(c2nccc3occc23)CC1
InChIInChI=1S/C23H28N4O2/c28-21-5-3-4-20-18(21)7-12-26(20)11-2-1-10-25-13-15-27(16-14-25)23-19-8-17-29-22(19)6-9-24-23/h6-9,12,17H,1-5,10-11,13-16H2
InChIKeyBAGXMNJFQSMWFK-UHFFFAOYSA-N
XLogP3.75
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one (CID 66966905) is 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCCN1CCN(c2nccc3occc23)CC1.
What is the InChIKey of 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is BAGXMNJFQSMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-21-5-3-4-20-18(21)7-12-26(20)11-2-1-10-25-13-15-27(16-14-25)23-19-8-17-29-22(19)6-9-24-23/h6-9,12,17H,1-5,10-11,13-16H2.
What are the key properties of 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one?
1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 392.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 66966905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).