[3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C23H23FN4O3S — CID 55438353

IUPAC[3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H23FN4O3S/c24-18-4-6-19(7-5-18)28-16-25-15-22(28)23(29)27-13-10-17-14-20(8-9-21(17)27)32(30,31)26-11-2-1-3-12-26/h4-9,14-16H,1-3,10-13H2
InChIKeyOOFXERVYCFUYPD-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.39
Rot. Bonds4

About [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

[3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 55438353) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID55438353
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name[3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H23FN4O3S/c24-18-4-6-19(7-5-18)28-16-25-15-22(28)23(29)27-13-10-17-14-20(8-9-21(17)27)32(30,31)26-11-2-1-3-12-26/h4-9,14-16H,1-3,10-13H2
InChIKeyOOFXERVYCFUYPD-UHFFFAOYSA-N
XLogP3.39
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097857
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
[3-(4-fluorophenyl)imidazol-4-yl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24515294
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
2-fluoro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 167990347
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
(E)-3-phenyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55438489
2-(3-fluorophenoxy)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097851
2-(N-ethyl-3-fluoroanilino)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55868878
(E)-3-(2-fluorophenyl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 18206902
1-bicyclo[1.1.0]butanyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 167965906

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 55438353) is [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is O=C(c1cncn1-c1ccc(F)cc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OOFXERVYCFUYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c24-18-4-6-19(7-5-18)28-16-25-15-22(28)23(29)27-13-10-17-14-20(8-9-21(17)27)32(30,31)26-11-2-1-3-12-26/h4-9,14-16H,1-3,10-13H2.
What are the key properties of [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
[3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 454.53 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)imidazol-4-yl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 55438353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).