5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one

C29H29FN4O2 — CID 118190844

IUPAC5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one
SMILESCc1cc2c(=O)n(-c3ccc(N4CCN(CCCc5c[nH]c6ccc(F)cc56)CC4)cc3)ccc2o1
InChIInChI=1S/C29H29FN4O2/c1-20-17-26-28(36-20)10-12-34(29(26)35)24-7-5-23(6-8-24)33-15-13-32(14-16-33)11-2-3-21-19-31-27-9-4-22(30)18-25(21)27/h4-10,12,17-19,31H,2-3,11,13-16H2,1H3
InChIKeyVZMLQUJUFDVUQX-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.27
Rot. Bonds6

About 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one

5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one (PubChem CID 118190844) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one
PubChem CID118190844
Molecular FormulaC29H29FN4O2
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC Name5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one
SMILESCc1cc2c(=O)n(-c3ccc(N4CCN(CCCc5c[nH]c6ccc(F)cc56)CC4)cc3)ccc2o1
InChIInChI=1S/C29H29FN4O2/c1-20-17-26-28(36-20)10-12-34(29(26)35)24-7-5-23(6-8-24)33-15-13-32(14-16-33)11-2-3-21-19-31-27-9-4-22(30)18-25(21)27/h4-10,12,17-19,31H,2-3,11,13-16H2,1H3
InChIKeyVZMLQUJUFDVUQX-UHFFFAOYSA-N
XLogP5.27
TPSA57.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one (CID 118190844) is 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one is Cc1cc2c(=O)n(-c3ccc(N4CCN(CCCc5c[nH]c6ccc(F)cc56)CC4)cc3)ccc2o1.
What is the InChIKey of 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one?
The InChIKey is VZMLQUJUFDVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2/c1-20-17-26-28(36-20)10-12-34(29(26)35)24-7-5-23(6-8-24)33-15-13-32(14-16-33)11-2-3-21-19-31-27-9-4-22(30)18-25(21)27/h4-10,12,17-19,31H,2-3,11,13-16H2,1H3.
What are the key properties of 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one?
5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 484.58 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 118190844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).