5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole

C24H30FN3O — CID 58303868

IUPAC5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole
SMILESCOc1c(F)ccc2c1c(CCCc1cccc(N3CCN(C)CC3)c1)cn2C
InChIInChI=1S/C24H30FN3O/c1-26-12-14-28(15-13-26)20-9-5-7-18(16-20)6-4-8-19-17-27(2)22-11-10-21(25)24(29-3)23(19)22/h5,7,9-11,16-17H,4,6,8,12-15H2,1-3H3
InChIKeyOWXYDAYURRGTIH-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.25
Rot. Bonds6

About 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole

5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole (PubChem CID 58303868) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole.

Molecular Properties

Compound Name5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole
PubChem CID58303868
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole
SMILESCOc1c(F)ccc2c1c(CCCc1cccc(N3CCN(C)CC3)c1)cn2C
InChIInChI=1S/C24H30FN3O/c1-26-12-14-28(15-13-26)20-9-5-7-18(16-20)6-4-8-19-17-27(2)22-11-10-21(25)24(29-3)23(19)22/h5,7,9-11,16-17H,4,6,8,12-15H2,1-3H3
InChIKeyOWXYDAYURRGTIH-UHFFFAOYSA-N
XLogP4.25
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole
CID 58303851
2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid
CID 58304033
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117368545
2-[3-(4-methylpiperazin-1-yl)phenyl]acetonitrile
CID 68945856
3-[3-(azepan-1-yl)phenyl]propan-1-amine
CID 28806993
1-methyl-4-[4-nitro-3-(3-phenylpropyl)phenyl]piperazine
CID 158677970
1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine
CID 174744693
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
2-methyl-4-[3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propyl]phenol
CID 90951023
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
CID 163230338
1-(4-ethoxy-5-fluoro-1-methylindol-3-yl)-4-phenylbutan-2-one
CID 58303978

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole?
The IUPAC name of 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole (CID 58303868) is 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole.
What is the SMILES notation for 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole?
The canonical SMILES for 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole is COc1c(F)ccc2c1c(CCCc1cccc(N3CCN(C)CC3)c1)cn2C.
What is the InChIKey of 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole?
The InChIKey is OWXYDAYURRGTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-26-12-14-28(15-13-26)20-9-5-7-18(16-20)6-4-8-19-17-27(2)22-11-10-21(25)24(29-3)23(19)22/h5,7,9-11,16-17H,4,6,8,12-15H2,1-3H3.
What are the key properties of 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole?
5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole has a molecular weight of 395.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole is sourced from PubChem (CID 58303868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).