(3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone

C20H22F2N2O2 — CID 138058621

IUPAC(3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone
SMILESCCC1(CC)CN(C(=O)c2cccc(OCC(F)F)n2)c2ccccc21
InChIInChI=1S/C20H22F2N2O2/c1-3-20(4-2)13-24(16-10-6-5-8-14(16)20)19(25)15-9-7-11-18(23-15)26-12-17(21)22/h5-11,17H,3-4,12-13H2,1-2H3
InChIKeyCEGHCIKDGQKXDT-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.44
Rot. Bonds6

About (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone

(3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone (PubChem CID 138058621) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone
PubChem CID138058621
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name(3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone
SMILESCCC1(CC)CN(C(=O)c2cccc(OCC(F)F)n2)c2ccccc21
InChIInChI=1S/C20H22F2N2O2/c1-3-20(4-2)13-24(16-10-6-5-8-14(16)20)19(25)15-9-7-11-18(23-15)26-12-17(21)22/h5-11,17H,3-4,12-13H2,1-2H3
InChIKeyCEGHCIKDGQKXDT-UHFFFAOYSA-N
XLogP4.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone?
The IUPAC name of (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone (CID 138058621) is (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone?
The canonical SMILES for (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone is CCC1(CC)CN(C(=O)c2cccc(OCC(F)F)n2)c2ccccc21.
What is the InChIKey of (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone?
The InChIKey is CEGHCIKDGQKXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-3-20(4-2)13-24(16-10-6-5-8-14(16)20)19(25)15-9-7-11-18(23-15)26-12-17(21)22/h5-11,17H,3-4,12-13H2,1-2H3.
What are the key properties of (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone?
(3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone has a molecular weight of 360.40 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethyl-2H-indol-1-yl)-[6-(2,2-difluoroethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 138058621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).