[1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C23H26N2O — CID 11493987

IUPAC[1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCc3cccnc3)c3ccccc23)C1(C)C
InChIInChI=1S/C23H26N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-10-6-5-9-17(18)19)13-11-16-8-7-12-24-14-16/h5-10,12,14-15,21H,11,13H2,1-4H3
InChIKeyVWRXGNJCEZNZLF-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.14
Rot. Bonds5

About [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11493987) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11493987
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name[1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCc3cccnc3)c3ccccc23)C1(C)C
InChIInChI=1S/C23H26N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-10-6-5-9-17(18)19)13-11-16-8-7-12-24-14-16/h5-10,12,14-15,21H,11,13H2,1-4H3
InChIKeyVWRXGNJCEZNZLF-UHFFFAOYSA-N
XLogP5.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh-200
CID 10045570
Xlr 11
CID 57501498
Jwh 015
CID 4273754
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
(R,S)-AM1241
CID 10141893
AM-694
CID 9889172

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11493987) is [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CCc3cccnc3)c3ccccc23)C1(C)C.
What is the InChIKey of [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is VWRXGNJCEZNZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-10-6-5-9-17(18)19)13-11-16-8-7-12-24-14-16/h5-10,12,14-15,21H,11,13H2,1-4H3.
What are the key properties of [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 346.47 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyridin-3-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11493987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).