8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H20ClN3O4S — CID 118408041

IUPAC8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3c(Cl)cncc3-c3ccc4c(c3)CS(=O)(=O)C4)CC2)O1
InChIInChI=1S/C20H20ClN3O4S/c21-17-9-22-8-16(13-1-2-14-10-29(26,27)11-15(14)7-13)18(17)24-5-3-20(4-6-24)12-23-19(25)28-20/h1-2,7-9H,3-6,10-12H2,(H,23,25)
InChIKeyNHGVPROOCMYWQM-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.91
Rot. Bonds2

About 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 118408041) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID118408041
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3c(Cl)cncc3-c3ccc4c(c3)CS(=O)(=O)C4)CC2)O1
InChIInChI=1S/C20H20ClN3O4S/c21-17-9-22-8-16(13-1-2-14-10-29(26,27)11-15(14)7-13)18(17)24-5-3-20(4-6-24)12-23-19(25)28-20/h1-2,7-9H,3-6,10-12H2,(H,23,25)
InChIKeyNHGVPROOCMYWQM-UHFFFAOYSA-N
XLogP2.91
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-[4-[4-[5-chloro-4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]propanenitrile
CID 118407978
8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 74222108
8-[3-[4-(1H-pyrazol-1-ium-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 163834187
8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407974
5-[5-chloro-4-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-pyridinyl]-3H-1,3-benzoxazol-2-one
CID 118408143
8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 123944758
8-[3-chloro-5-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118408036
4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde
CID 164625693
8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 118730664
1-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-[2-(dimethylamino)ethyl]piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid
CID 127046086
8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 156747121

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 118408041) is 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(c3c(Cl)cncc3-c3ccc4c(c3)CS(=O)(=O)C4)CC2)O1.
What is the InChIKey of 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NHGVPROOCMYWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c21-17-9-22-8-16(13-1-2-14-10-29(26,27)11-15(14)7-13)18(17)24-5-3-20(4-6-24)12-23-19(25)28-20/h1-2,7-9H,3-6,10-12H2,(H,23,25).
What are the key properties of 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 433.92 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118408041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).