4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole

C22H22ClFN4 — CID 22462300

IUPAC4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole
SMILESFc1cc(N2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)c2cc[nH]c2c1
InChIInChI=1S/C22H22ClFN4/c23-16-1-2-18-15(14-26-20(18)11-16)4-6-27-7-9-28(10-8-27)22-13-17(24)12-21-19(22)3-5-25-21/h1-3,5,11-14,25-26H,4,6-10H2
InChIKeyYTMJLTSIXRWRDH-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.81
Rot. Bonds4

About 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole

4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole (PubChem CID 22462300) has the molecular formula C22H22ClFN4 and a molecular weight of 396.90 g/mol. Its IUPAC name is 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole
PubChem CID22462300
Molecular FormulaC22H22ClFN4
Molecular Weight396.90 g/mol
Exact Mass396.15
IUPAC Name4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole
SMILESFc1cc(N2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)c2cc[nH]c2c1
InChIInChI=1S/C22H22ClFN4/c23-16-1-2-18-15(14-26-20(18)11-16)4-6-27-7-9-28(10-8-27)22-13-17(24)12-21-19(22)3-5-25-21/h1-3,5,11-14,25-26H,4,6-10H2
InChIKeyYTMJLTSIXRWRDH-UHFFFAOYSA-N
XLogP4.81
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole with MolForge

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Related Compounds

6-chloro-3-[2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]ethyl]-1H-indole
CID 22462261
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
3-[2-[4-[2,2-bis(trifluoromethyl)-3H-1,4-benzodioxin-5-yl]piperazin-1-yl]ethyl]-6-chloro-1H-indole
CID 18184287
5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 18184313
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one
CID 135853204
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
6-chloro-3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10164181
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
4-[4-[2-(2,5-dichlorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole
CID 10294734
3-(6-chloro-1H-indol-3-yl)propanenitrile
CID 82396450

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole?
The IUPAC name of 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole (CID 22462300) is 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole?
The canonical SMILES for 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole is Fc1cc(N2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole?
The InChIKey is YTMJLTSIXRWRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4/c23-16-1-2-18-15(14-26-20(18)11-16)4-6-27-7-9-28(10-8-27)22-13-17(24)12-21-19(22)3-5-25-21/h1-3,5,11-14,25-26H,4,6-10H2.
What are the key properties of 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole?
4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole has a molecular weight of 396.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 22462300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).