[3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone

C24H30N4O6S — CID 123636614

IUPAC[3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(N2CCOc3cnc(OC4CCN(C(=O)C5CCOCC5)C4)cc32)cnc1S(C)(=O)=O
InChIInChI=1S/C24H30N4O6S/c1-16-11-18(13-26-23(16)35(2,30)31)28-7-10-33-21-14-25-22(12-20(21)28)34-19-3-6-27(15-19)24(29)17-4-8-32-9-5-17/h11-14,17,19H,3-10,15H2,1-2H3
InChIKeyMZBUVFUMINIPSE-UHFFFAOYSA-N
MW502.59 g/mol
LogP2.13
Rot. Bonds5

About [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone

[3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 123636614) has the molecular formula C24H30N4O6S and a molecular weight of 502.59 g/mol. Its IUPAC name is [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID123636614
Molecular FormulaC24H30N4O6S
Molecular Weight502.59 g/mol
Exact Mass502.19
IUPAC Name[3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(N2CCOc3cnc(OC4CCN(C(=O)C5CCOCC5)C4)cc32)cnc1S(C)(=O)=O
InChIInChI=1S/C24H30N4O6S/c1-16-11-18(13-26-23(16)35(2,30)31)28-7-10-33-21-14-25-22(12-20(21)28)34-19-3-6-27(15-19)24(29)17-4-8-32-9-5-17/h11-14,17,19H,3-10,15H2,1-2H3
InChIKeyMZBUVFUMINIPSE-UHFFFAOYSA-N
XLogP2.13
TPSA111.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 123636614) is [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone is Cc1cc(N2CCOc3cnc(OC4CCN(C(=O)C5CCOCC5)C4)cc32)cnc1S(C)(=O)=O.
What is the InChIKey of [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is MZBUVFUMINIPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6S/c1-16-11-18(13-26-23(16)35(2,30)31)28-7-10-33-21-14-25-22(12-20(21)28)34-19-3-6-27(15-19)24(29)17-4-8-32-9-5-17/h11-14,17,19H,3-10,15H2,1-2H3.
What are the key properties of [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 502.59 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(5-methyl-6-methylsulfonyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 123636614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).