3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole

C23H19N3 — CID 71444035

IUPAC3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
SMILESCn1cc(C(c2ccncc2)c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C23H19N3/c1-26-15-20(18-7-3-5-9-22(18)26)23(16-10-12-24-13-11-16)19-14-25-21-8-4-2-6-17(19)21/h2-15,23,25H,1H3
InChIKeyTZYFEDSBWZVEFG-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.23
Rot. Bonds3

About 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole

3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole (PubChem CID 71444035) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole.

Molecular Properties

Compound Name3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
PubChem CID71444035
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
SMILESCn1cc(C(c2ccncc2)c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C23H19N3/c1-26-15-20(18-7-3-5-9-22(18)26)23(16-10-12-24-13-11-16)19-14-25-21-8-4-2-6-17(19)21/h2-15,23,25H,1H3
InChIKeyTZYFEDSBWZVEFG-UHFFFAOYSA-N
XLogP5.23
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole?
The IUPAC name of 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole (CID 71444035) is 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole.
What is the SMILES notation for 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole?
The canonical SMILES for 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole is Cn1cc(C(c2ccncc2)c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole?
The InChIKey is TZYFEDSBWZVEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-26-15-20(18-7-3-5-9-22(18)26)23(16-10-12-24-13-11-16)19-14-25-21-8-4-2-6-17(19)21/h2-15,23,25H,1H3.
What are the key properties of 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole?
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole has a molecular weight of 337.43 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole is sourced from PubChem (CID 71444035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).