5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C23H23ClN2 — CID 18545982

IUPAC5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESClc1ccc2[nH]c(C3=CCN(CC4Cc5ccccc5C4)CC3)cc2c1
InChIInChI=1S/C23H23ClN2/c24-21-5-6-22-20(13-21)14-23(25-22)17-7-9-26(10-8-17)15-16-11-18-3-1-2-4-19(18)12-16/h1-7,13-14,16,25H,8-12,15H2
InChIKeyAVGAXWBGIQLKAF-UHFFFAOYSA-N
MW362.90 g/mol
LogP5.33
Rot. Bonds3

About 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 18545982) has the molecular formula C23H23ClN2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID18545982
Molecular FormulaC23H23ClN2
Molecular Weight362.90 g/mol
Exact Mass362.15
IUPAC Name5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESClc1ccc2[nH]c(C3=CCN(CC4Cc5ccccc5C4)CC3)cc2c1
InChIInChI=1S/C23H23ClN2/c24-21-5-6-22-20(13-21)14-23(25-22)17-7-9-26(10-8-17)15-16-11-18-3-1-2-4-19(18)12-16/h1-7,13-14,16,25H,8-12,15H2
InChIKeyAVGAXWBGIQLKAF-UHFFFAOYSA-N
XLogP5.33
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 18545982) is 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is Clc1ccc2[nH]c(C3=CCN(CC4Cc5ccccc5C4)CC3)cc2c1.
What is the InChIKey of 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is AVGAXWBGIQLKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2/c24-21-5-6-22-20(13-21)14-23(25-22)17-7-9-26(10-8-17)15-16-11-18-3-1-2-4-19(18)12-16/h1-7,13-14,16,25H,8-12,15H2.
What are the key properties of 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 362.90 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 18545982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).