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

C26H26FN3O2S — CID 176766207

IUPAC[5-fluoro-6-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone
SMILES[H]N=S(=O)(CCC)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C26H26FN3O2S/c1-2-11-33(28,32)25-16-24-19(15-22(25)27)8-10-30(24)26(31)21-12-17-6-7-18(13-20(17)14-21)23-5-3-4-9-29-23/h3-7,9,13,15-16,21,28H,2,8,10-12,14H2,1H3/t21-,33?/m1/s1
InChIKeyQTIDFNXZAPLETL-GGPMTTHASA-N
MW463.58 g/mol
LogP5.01
Rot. Bonds5

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

[5-fluoro-6-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone (PubChem CID 176766207) has the molecular formula C26H26FN3O2S and a molecular weight of 463.58 g/mol. Its IUPAC name is [5-fluoro-6-(propylsulfonimidoyl)-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-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone
PubChem CID176766207
Molecular FormulaC26H26FN3O2S
Molecular Weight463.58 g/mol
Exact Mass463.17
IUPAC Name[5-fluoro-6-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone
SMILES[H]N=S(=O)(CCC)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C26H26FN3O2S/c1-2-11-33(28,32)25-16-24-19(15-22(25)27)8-10-30(24)26(31)21-12-17-6-7-18(13-20(17)14-21)23-5-3-4-9-29-23/h3-7,9,13,15-16,21,28H,2,8,10-12,14H2,1H3/t21-,33?/m1/s1
InChIKeyQTIDFNXZAPLETL-GGPMTTHASA-N
XLogP5.01
TPSA74.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-(propylsulfonimidoyl)-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-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone (CID 176766207) is [5-fluoro-6-(propylsulfonimidoyl)-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-(propylsulfonimidoyl)-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-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone is [H]N=S(=O)(CCC)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1.
What is the InChIKey of [5-fluoro-6-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone?
The InChIKey is QTIDFNXZAPLETL-GGPMTTHASA-N. The full InChI is InChI=1S/C26H26FN3O2S/c1-2-11-33(28,32)25-16-24-19(15-22(25)27)8-10-30(24)26(31)21-12-17-6-7-18(13-20(17)14-21)23-5-3-4-9-29-23/h3-7,9,13,15-16,21,28H,2,8,10-12,14H2,1H3/t21-,33?/m1/s1.
What are the key properties of [5-fluoro-6-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone?
[5-fluoro-6-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone has a molecular weight of 463.58 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-(propylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone is sourced from PubChem (CID 176766207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).