5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one

C24H23N3O6S — CID 67121866

IUPAC5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one
SMILESCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1
InChIInChI=1S/C24H23N3O6S/c1-31-24-12-9-17(14-25-24)33-21-4-2-3-18-19(21)10-11-22(18)32-16-7-5-15(6-8-16)20-13-23(28)27-34(29,30)26-20/h2-9,12,14,20,22,26H,10-11,13H2,1H3,(H,27,28)/t20?,22-/m1/s1
InChIKeyJCPJIFGRLGBNJQ-LWMIZPGFSA-N
MW481.53 g/mol
LogP3.34
Rot. Bonds6

About 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one

5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one (PubChem CID 67121866) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one.

Molecular Properties

Compound Name5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one
PubChem CID67121866
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one
SMILESCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1
InChIInChI=1S/C24H23N3O6S/c1-31-24-12-9-17(14-25-24)33-21-4-2-3-18-19(21)10-11-22(18)32-16-7-5-15(6-8-16)20-13-23(28)27-34(29,30)26-20/h2-9,12,14,20,22,26H,10-11,13H2,1H3,(H,27,28)/t20?,22-/m1/s1
InChIKeyJCPJIFGRLGBNJQ-LWMIZPGFSA-N
XLogP3.34
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one?
The IUPAC name of 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one (CID 67121866) is 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one.
What is the SMILES notation for 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one?
The canonical SMILES for 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one is COc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1.
What is the InChIKey of 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one?
The InChIKey is JCPJIFGRLGBNJQ-LWMIZPGFSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-31-24-12-9-17(14-25-24)33-21-4-2-3-18-19(21)10-11-22(18)32-16-7-5-15(6-8-16)20-13-23(28)27-34(29,30)26-20/h2-9,12,14,20,22,26H,10-11,13H2,1H3,(H,27,28)/t20?,22-/m1/s1.
What are the key properties of 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one?
5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one has a molecular weight of 481.53 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one is sourced from PubChem (CID 67121866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).