[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone

C24H21ClN4O2S — CID 118666113

IUPAC[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
SMILESCSc1cn(-c2ncc(-c3ccccc3Cl)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H21ClN4O2S/c1-32-22-15-29(24-26-13-17(14-27-24)18-4-2-3-5-20(18)25)21-12-16(6-7-19(21)22)23(30)28-8-10-31-11-9-28/h2-7,12-15H,8-11H2,1H3
InChIKeyYPXWXAXECCLXHJ-UHFFFAOYSA-N
MW464.98 g/mol
LogP4.94
Rot. Bonds4

About [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone

[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118666113) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
PubChem CID118666113
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC Name[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
SMILESCSc1cn(-c2ncc(-c3ccccc3Cl)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H21ClN4O2S/c1-32-22-15-29(24-26-13-17(14-27-24)18-4-2-3-5-20(18)25)21-12-16(6-7-19(21)22)23(30)28-8-10-31-11-9-28/h2-7,12-15H,8-11H2,1H3
InChIKeyYPXWXAXECCLXHJ-UHFFFAOYSA-N
XLogP4.94
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
CID 144998554
methyl 3-[2-[3-methylsulfanyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]benzoate;hydrate
CID 144998532
[3-methylsulfanyl-1-[5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]indol-6-yl]-morpholin-4-ylmethanone;hydrate
CID 144998436
tert-butyl 4-[1-[5-(2-cyanophenyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]piperazine-1-carboxylate
CID 118666152
[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666196
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone;hydrate
CID 144998466
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659916
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 118671727
[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
6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile
CID 118671997
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone (CID 118666113) is [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone is CSc1cn(-c2ncc(-c3ccccc3Cl)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is YPXWXAXECCLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c1-32-22-15-29(24-26-13-17(14-27-24)18-4-2-3-5-20(18)25)21-12-16(6-7-19(21)22)23(30)28-8-10-31-11-9-28/h2-7,12-15H,8-11H2,1H3.
What are the key properties of [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 464.98 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118666113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).