3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole

C26H25N3 — CID 2949451

IUPAC3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole
SMILESCc1c(C(c2ccccn2)c2c(C)n(C)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C26H25N3/c1-17-24(19-11-5-7-14-22(19)28(17)3)26(21-13-9-10-16-27-21)25-18(2)29(4)23-15-8-6-12-20(23)25/h5-16,26H,1-4H3
InChIKeyCLMMZEVCTSRATG-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.86
Rot. Bonds3

About 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole

3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole (PubChem CID 2949451) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole.

Molecular Properties

Compound Name3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole
PubChem CID2949451
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole
SMILESCc1c(C(c2ccccn2)c2c(C)n(C)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C26H25N3/c1-17-24(19-11-5-7-14-22(19)28(17)3)26(21-13-9-10-16-27-21)25-18(2)29(4)23-15-8-6-12-20(23)25/h5-16,26H,1-4H3
InChIKeyCLMMZEVCTSRATG-UHFFFAOYSA-N
XLogP5.86
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole?
The IUPAC name of 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole (CID 2949451) is 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole.
What is the SMILES notation for 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole?
The canonical SMILES for 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole is Cc1c(C(c2ccccn2)c2c(C)n(C)c3ccccc23)c2ccccc2n1C.
What is the InChIKey of 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole?
The InChIKey is CLMMZEVCTSRATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-17-24(19-11-5-7-14-22(19)28(17)3)26(21-13-9-10-16-27-21)25-18(2)29(4)23-15-8-6-12-20(23)25/h5-16,26H,1-4H3.
What are the key properties of 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole?
3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole has a molecular weight of 379.51 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylindol-3-yl)-pyridin-2-ylmethyl]-1,2-dimethylindole is sourced from PubChem (CID 2949451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).