5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

C23H23FN4O3S — CID 66764616

IUPAC5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCCCS(=O)(=O)c1ccccc1CCc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1F
InChIInChI=1S/C23H23FN4O3S/c1-2-11-32(30,31)21-6-4-3-5-15(21)7-9-20-18(24)14-25-23(28-20)26-17-8-10-19-16(12-17)13-22(29)27-19/h3-6,8,10,12,14H,2,7,9,11,13H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyXLKKBSTTYUJYHQ-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.82
Rot. Bonds8

About 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 66764616) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID66764616
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCCCS(=O)(=O)c1ccccc1CCc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1F
InChIInChI=1S/C23H23FN4O3S/c1-2-11-32(30,31)21-6-4-3-5-15(21)7-9-20-18(24)14-25-23(28-20)26-17-8-10-19-16(12-17)13-22(29)27-19/h3-6,8,10,12,14H,2,7,9,11,13H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyXLKKBSTTYUJYHQ-UHFFFAOYSA-N
XLogP3.82
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-[[4-[2-(2-hydroxyphenyl)ethylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 90867504
2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonic acid
CID 11697374
5-[[5-bromo-4-[(2,4-difluorophenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 57477075
8-[[5-fluoro-4-[2-(3-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 66764457
5-[[4-[[2-(methylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 159617040
2-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 41342532
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
5-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]pentane-2-sulfonamide
CID 161242905
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]ethanesulfonamide
CID 91069880
5,11-dimethyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 118684131
N-[3-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]propane-2-sulfonamide
CID 172818265
N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 11604692

Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 66764616) is 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is CCCS(=O)(=O)c1ccccc1CCc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1F.
What is the InChIKey of 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is XLKKBSTTYUJYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-2-11-32(30,31)21-6-4-3-5-15(21)7-9-20-18(24)14-25-23(28-20)26-17-8-10-19-16(12-17)13-22(29)27-19/h3-6,8,10,12,14H,2,7,9,11,13H2,1H3,(H,27,29)(H,25,26,28).
What are the key properties of 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 454.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-fluoro-4-[2-(2-propylsulfonylphenyl)ethyl]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 66764616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).