[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone

C24H21FN4O4S — CID 137367070

IUPAC[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)n1cc(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H21FN4O4S/c1-34(31,32)29-15-20(23-26-13-17(14-27-23)18-4-2-3-5-21(18)25)19-12-16(6-7-22(19)29)24(30)28-8-10-33-11-9-28/h2-7,12-15H,8-11H2,1H3
InChIKeyAKEZMUMNHBEHAI-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.18
Rot. Bonds4

About [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone

[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone (PubChem CID 137367070) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
PubChem CID137367070
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Name[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)n1cc(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H21FN4O4S/c1-34(31,32)29-15-20(23-26-13-17(14-27-23)18-4-2-3-5-21(18)25)19-12-16(6-7-22(19)29)24(30)28-8-10-33-11-9-28/h2-7,12-15H,8-11H2,1H3
InChIKeyAKEZMUMNHBEHAI-UHFFFAOYSA-N
XLogP3.18
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
CID 137367695
[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367091
[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367847
3-[5-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methyl-1-methylsulfonylindole-5-carboxamide
CID 142501754
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 118671727
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
CID 118666113
[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone
CID 137367126
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 118666022
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-thiomorpholin-4-ylmethanone
CID 118676837
[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666196
CID 90319937
CID 90319937
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118676917

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone (CID 137367070) is [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone is CS(=O)(=O)n1cc(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is AKEZMUMNHBEHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-34(31,32)29-15-20(23-26-13-17(14-27-23)18-4-2-3-5-21(18)25)19-12-16(6-7-22(19)29)24(30)28-8-10-33-11-9-28/h2-7,12-15H,8-11H2,1H3.
What are the key properties of [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 480.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137367070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).