1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone

C24H26ClFN4O — CID 18545934

IUPAC1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(CCN2CCN(c3c[nH]c4cc(Cl)ccc34)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H26ClFN4O/c1-16(31)30-15-17(21-13-19(26)3-5-23(21)30)6-7-28-8-10-29(11-9-28)24-14-27-22-12-18(25)2-4-20(22)24/h2-5,12-14,17,27H,6-11,15H2,1H3
InChIKeyRQBUPPSGZDLXGZ-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.62
Rot. Bonds4

About 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone

1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone (PubChem CID 18545934) has the molecular formula C24H26ClFN4O and a molecular weight of 440.95 g/mol. Its IUPAC name is 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone
PubChem CID18545934
Molecular FormulaC24H26ClFN4O
Molecular Weight440.95 g/mol
Exact Mass440.18
IUPAC Name1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(CCN2CCN(c3c[nH]c4cc(Cl)ccc34)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H26ClFN4O/c1-16(31)30-15-17(21-13-19(26)3-5-23(21)30)6-7-28-8-10-29(11-9-28)24-14-27-22-12-18(25)2-4-20(22)24/h2-5,12-14,17,27H,6-11,15H2,1H3
InChIKeyRQBUPPSGZDLXGZ-UHFFFAOYSA-N
XLogP4.62
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone (CID 18545934) is 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CC(CCN2CCN(c3c[nH]c4cc(Cl)ccc34)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RQBUPPSGZDLXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O/c1-16(31)30-15-17(21-13-19(26)3-5-23(21)30)6-7-28-8-10-29(11-9-28)24-14-27-22-12-18(25)2-4-20(22)24/h2-5,12-14,17,27H,6-11,15H2,1H3.
What are the key properties of 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone?
1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 440.95 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 18545934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).