6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile

C26H28N6O5 — CID 156862234

IUPAC6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cc(OC2CNC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C26H28N6O5/c27-9-17-8-19(36-20-11-29-12-20)7-16-5-15(6-21(16)17)10-28-4-3-18-13-32(26(34)37-18)23-2-1-22-25(30-23)31-24(33)14-35-22/h1-2,7-8,15,18,20,28-29H,3-6,10-14H2,(H,30,31,33)
InChIKeySQDVWXKLLQAIME-UHFFFAOYSA-N
MW504.55 g/mol
LogP1.35
Rot. Bonds8

About 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile

6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 156862234) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID156862234
Molecular FormulaC26H28N6O5
Molecular Weight504.55 g/mol
Exact Mass504.21
IUPAC Name6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cc(OC2CNC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C26H28N6O5/c27-9-17-8-19(36-20-11-29-12-20)7-16-5-15(6-21(16)17)10-28-4-3-18-13-32(26(34)37-18)23-2-1-22-25(30-23)31-24(33)14-35-22/h1-2,7-8,15,18,20,28-29H,3-6,10-14H2,(H,30,31,33)
InChIKeySQDVWXKLLQAIME-UHFFFAOYSA-N
XLogP1.35
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile (CID 156862234) is 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1cc(OC2CNC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.
What is the InChIKey of 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is SQDVWXKLLQAIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5/c27-9-17-8-19(36-20-11-29-12-20)7-16-5-15(6-21(16)17)10-28-4-3-18-13-32(26(34)37-18)23-2-1-22-25(30-23)31-24(33)14-35-22/h1-2,7-8,15,18,20,28-29H,3-6,10-14H2,(H,30,31,33).
What are the key properties of 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile?
6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 504.55 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 156862234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).