(5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H21ClN4O — CID 16646016

IUPAC(5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C20H21ClN4O/c1-14-16-13-15(21)6-7-17(16)23(2)19(14)20(26)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13H,9-12H2,1-2H3
InChIKeyLYTWENVBIZTMOG-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.50
Rot. Bonds2

About (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 16646016) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID16646016
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name(5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C20H21ClN4O/c1-14-16-13-15(21)6-7-17(16)23(2)19(14)20(26)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13H,9-12H2,1-2H3
InChIKeyLYTWENVBIZTMOG-UHFFFAOYSA-N
XLogP3.50
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 16646016) is (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(c3ccccn3)CC2)n(C)c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LYTWENVBIZTMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-14-16-13-15(21)6-7-17(16)23(2)19(14)20(26)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 368.87 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-dimethylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 16646016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).