1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole

C24H21N3 — CID 2948951

IUPAC1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole
SMILESCn1cc(C(c2ccccn2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H21N3/c1-26-15-19(17-9-3-5-12-22(17)26)24(21-11-7-8-14-25-21)20-16-27(2)23-13-6-4-10-18(20)23/h3-16,24H,1-2H3
InChIKeyNLKWVANPOBBPAE-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.25
Rot. Bonds3

About 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole

1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole (PubChem CID 2948951) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole
PubChem CID2948951
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole
SMILESCn1cc(C(c2ccccn2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H21N3/c1-26-15-19(17-9-3-5-12-22(17)26)24(21-11-7-8-14-25-21)20-16-27(2)23-13-6-4-10-18(20)23/h3-16,24H,1-2H3
InChIKeyNLKWVANPOBBPAE-UHFFFAOYSA-N
XLogP5.25
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Beta-Carboline
CID 64961
Indalpine
CID 44668
Latrepirdine
CID 197033
Iprindole
CID 21722
Harman
CID 5281404
N,N-Diethyltryptamine
CID 6090
Serdemetan
CID 11609586
Rimcazole
CID 53389
Mebhydrolin
CID 22530
Avn-101
CID 42631003

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole?
The IUPAC name of 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole (CID 2948951) is 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole.
What is the SMILES notation for 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole?
The canonical SMILES for 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole is Cn1cc(C(c2ccccn2)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole?
The InChIKey is NLKWVANPOBBPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-26-15-19(17-9-3-5-12-22(17)26)24(21-11-7-8-14-25-21)20-16-27(2)23-13-6-4-10-18(20)23/h3-16,24H,1-2H3.
What are the key properties of 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole?
1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole has a molecular weight of 351.45 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylindol-3-yl)-pyridin-2-ylmethyl]indole is sourced from PubChem (CID 2948951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).