6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C23H22ClN3O — CID 21268183

IUPAC6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESClc1ccc2c(C3=CCN(CCOc4cccc5[nH]ccc45)CC3)c[nH]c2c1
InChIInChI=1S/C23H22ClN3O/c24-17-4-5-18-20(15-26-22(18)14-17)16-7-10-27(11-8-16)12-13-28-23-3-1-2-21-19(23)6-9-25-21/h1-7,9,14-15,25-26H,8,10-13H2
InChIKeyGTNVVUIMDOMXTF-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.47
Rot. Bonds5

About 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 21268183) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID21268183
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESClc1ccc2c(C3=CCN(CCOc4cccc5[nH]ccc45)CC3)c[nH]c2c1
InChIInChI=1S/C23H22ClN3O/c24-17-4-5-18-20(15-26-22(18)14-17)16-7-10-27(11-8-16)12-13-28-23-3-1-2-21-19(23)6-9-25-21/h1-7,9,14-15,25-26H,8,10-13H2
InChIKeyGTNVVUIMDOMXTF-UHFFFAOYSA-N
XLogP5.47
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole with MolForge

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Related Compounds

1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268352
(2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57238471
(2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57229455
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
3-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 57020416
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113087091
1-[3-[4-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-2,3-dihydroindol-1-yl]ethanone
CID 18545791

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 21268183) is 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is Clc1ccc2c(C3=CCN(CCOc4cccc5[nH]ccc45)CC3)c[nH]c2c1.
What is the InChIKey of 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is GTNVVUIMDOMXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-17-4-5-18-20(15-26-22(18)14-17)16-7-10-27(11-8-16)12-13-28-23-3-1-2-21-19(23)6-9-25-21/h1-7,9,14-15,25-26H,8,10-13H2.
What are the key properties of 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 391.90 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 21268183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).