[5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone

C24H22FN3O2S — CID 170393799

IUPAC[5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone
SMILES[H]N=S(C)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C24H22FN3O2S/c1-31(26,30)23-14-22-17(13-20(23)25)7-9-28(22)24(29)19-10-15-5-6-16(11-18(15)12-19)21-4-2-3-8-27-21/h2-6,8,11,13-14,19,26H,7,9-10,12H2,1H3/t19-,31?/m1/s1
InChIKeyPFBJIKFVEKQBGD-MFUYNUFSSA-N
MW435.52 g/mol
LogP4.23
Rot. Bonds3

About [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone

[5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone (PubChem CID 170393799) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone
PubChem CID170393799
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name[5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone
SMILES[H]N=S(C)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C24H22FN3O2S/c1-31(26,30)23-14-22-17(13-20(23)25)7-9-28(22)24(29)19-10-15-5-6-16(11-18(15)12-19)21-4-2-3-8-27-21/h2-6,8,11,13-14,19,26H,7,9-10,12H2,1H3/t19-,31?/m1/s1
InChIKeyPFBJIKFVEKQBGD-MFUYNUFSSA-N
XLogP4.23
TPSA74.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone?
The IUPAC name of [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone (CID 170393799) is [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone.
What is the SMILES notation for [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone?
The canonical SMILES for [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone is [H]N=S(C)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1.
What is the InChIKey of [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone?
The InChIKey is PFBJIKFVEKQBGD-MFUYNUFSSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-31(26,30)23-14-22-17(13-20(23)25)7-9-28(22)24(29)19-10-15-5-6-16(11-18(15)12-19)21-4-2-3-8-27-21/h2-6,8,11,13-14,19,26H,7,9-10,12H2,1H3/t19-,31?/m1/s1.
What are the key properties of [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone?
[5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone has a molecular weight of 435.52 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone is sourced from PubChem (CID 170393799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).