[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone

C20H21FN4O2S — CID 5309565

IUPAC[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)N1CCOCC1
InChIInChI=1S/C20H21FN4O2S/c21-14-2-1-3-15-16(14)17-18(28-15)19(23-12-22-17)24-6-4-13(5-7-24)20(26)25-8-10-27-11-9-25/h1-3,12-13H,4-11H2
InChIKeyUGFFUSOWKLXVLH-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.06
Rot. Bonds2

About [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 5309565) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID5309565
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)N1CCOCC1
InChIInChI=1S/C20H21FN4O2S/c21-14-2-1-3-15-16(14)17-18(28-15)19(23-12-22-17)24-6-4-13(5-7-24)20(26)25-8-10-27-11-9-25/h1-3,12-13H,4-11H2
InChIKeyUGFFUSOWKLXVLH-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylacetamide
CID 46886361
N-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylacetamide
CID 25109494
N,N-dimethyl-1-((2-(2-methylbenzo[b]thiophen-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperidin-4-amine
CID 49832939
1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 57519554
Ethyl 4-{[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3243638
Ethyl 4-{[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbonyl}piperazine-1-carboxylate
CID 3244259
N-cyclopropyl-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 11957228
N-[3-[butyl(ethyl)amino]propyl]-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide
CID 16193912
N-(2,4-difluorophenyl)-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20889883
1-(9-Fluoro[1]benzothieno[3,2-D]pyrimidin-4-YL)-N-(3-fluorophenyl)-4-piperidinecarboxamide
CID 6623216
1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 9551379
N-[3-(diethylamino)propyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 16193974

Frequently Asked Questions

What is the IUPAC name of [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 5309565) is [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)N1CCOCC1.
What is the InChIKey of [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UGFFUSOWKLXVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c21-14-2-1-3-15-16(14)17-18(28-15)19(23-12-22-17)24-6-4-13(5-7-24)20(26)25-8-10-27-11-9-25/h1-3,12-13H,4-11H2.
What are the key properties of [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 400.48 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 5309565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).