4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol

C24H28ClN3O — CID 174551690

IUPAC4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol
SMILESCCc1cc(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c2c(c1Cl)CNC2O
InChIInChI=1S/C24H28ClN3O/c1-2-16-11-18(22-19(23(16)25)13-26-24(22)29)21-12-17-10-15(6-7-20(17)27-21)14-28-8-4-3-5-9-28/h6-7,10-12,24,26-27,29H,2-5,8-9,13-14H2,1H3
InChIKeyHLXLIMUXVKNLTA-UHFFFAOYSA-N
MW409.96 g/mol
LogP5.13
Rot. Bonds4

About 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol

4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol (PubChem CID 174551690) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol.

Molecular Properties

Compound Name4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol
PubChem CID174551690
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol
SMILESCCc1cc(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c2c(c1Cl)CNC2O
InChIInChI=1S/C24H28ClN3O/c1-2-16-11-18(22-19(23(16)25)13-26-24(22)29)21-12-17-10-15(6-7-20(17)27-21)14-28-8-4-3-5-9-28/h6-7,10-12,24,26-27,29H,2-5,8-9,13-14H2,1H3
InChIKeyHLXLIMUXVKNLTA-UHFFFAOYSA-N
XLogP5.13
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(dimethylamino)methyl]-4-hydroxy-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 68825189
4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride
CID 174537459
5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol
CID 69293865
5-[(dimethylamino)methyl]-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-4-propoxy-2,3-dihydroisoindol-1-one
CID 68825097
ethyl 2-[[2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-1H-indol-5-yl]methylamino]acetate;hydrochloride
CID 174537414
[1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] chloromethanesulfonate
CID 87471219
2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640170
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 135908184
1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol
CID 69324713
[1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] propane-2-sulfonate
CID 87470892
5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 90004363

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol?
The IUPAC name of 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol (CID 174551690) is 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol.
What is the SMILES notation for 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol?
The canonical SMILES for 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol is CCc1cc(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c2c(c1Cl)CNC2O.
What is the InChIKey of 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol?
The InChIKey is HLXLIMUXVKNLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-2-16-11-18(22-19(23(16)25)13-26-24(22)29)21-12-17-10-15(6-7-20(17)27-21)14-28-8-4-3-5-9-28/h6-7,10-12,24,26-27,29H,2-5,8-9,13-14H2,1H3.
What are the key properties of 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol?
4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol has a molecular weight of 409.96 g/mol, XLogP of 5.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol is sourced from PubChem (CID 174551690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).