2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone

C23H23N5O2S — CID 71023318

IUPAC2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone
SMILESO=C(CC1CC=CS1)N1CC2COCCN2c2nc(-c3cccc4[nH]ccc34)ncc21
InChIInChI=1S/C23H23N5O2S/c29-21(11-16-3-2-10-31-16)28-13-15-14-30-9-8-27(15)23-20(28)12-25-22(26-23)18-4-1-5-19-17(18)6-7-24-19/h1-2,4-7,10,12,15-16,24H,3,8-9,11,13-14H2
InChIKeyUFUGOYKDLYTQHY-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.59
Rot. Bonds3

About 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone

2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone (PubChem CID 71023318) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone
PubChem CID71023318
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone
SMILESO=C(CC1CC=CS1)N1CC2COCCN2c2nc(-c3cccc4[nH]ccc34)ncc21
InChIInChI=1S/C23H23N5O2S/c29-21(11-16-3-2-10-31-16)28-13-15-14-30-9-8-27(15)23-20(28)12-25-22(26-23)18-4-1-5-19-17(18)6-7-24-19/h1-2,4-7,10,12,15-16,24H,3,8-9,11,13-14H2
InChIKeyUFUGOYKDLYTQHY-UHFFFAOYSA-N
XLogP3.59
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone (CID 71023318) is 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone is O=C(CC1CC=CS1)N1CC2COCCN2c2nc(-c3cccc4[nH]ccc34)ncc21.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone?
The InChIKey is UFUGOYKDLYTQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c29-21(11-16-3-2-10-31-16)28-13-15-14-30-9-8-27(15)23-20(28)12-25-22(26-23)18-4-1-5-19-17(18)6-7-24-19/h1-2,4-7,10,12,15-16,24H,3,8-9,11,13-14H2.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone?
2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone has a molecular weight of 433.54 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-2-yl)-1-[2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]ethanone is sourced from PubChem (CID 71023318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).