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

C22H24N2O — CID 44626624

IUPAC[1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(Cc3cccnc3)c3ccccc23)C1(C)C
InChIInChI=1S/C22H24N2O/c1-21(2)20(22(21,3)4)19(25)17-14-24(13-15-8-7-11-23-12-15)18-10-6-5-9-16(17)18/h5-12,14,20H,13H2,1-4H3
InChIKeyBXMCCNCBNXREJN-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.95
Rot. Bonds4

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

[1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 44626624) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID44626624
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name[1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(Cc3cccnc3)c3ccccc23)C1(C)C
InChIInChI=1S/C22H24N2O/c1-21(2)20(22(21,3)4)19(25)17-14-24(13-15-8-7-11-23-12-15)18-10-6-5-9-16(17)18/h5-12,14,20H,13H2,1-4H3
InChIKeyBXMCCNCBNXREJN-UHFFFAOYSA-N
XLogP4.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 44626624) is [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(Cc3cccnc3)c3ccccc23)C1(C)C.
What is the InChIKey of [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is BXMCCNCBNXREJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-21(2)20(22(21,3)4)19(25)17-14-24(13-15-8-7-11-23-12-15)18-10-6-5-9-16(17)18/h5-12,14,20H,13H2,1-4H3.
What are the key properties of [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 332.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 44626624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).