(5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one

C21H21ClN8O5 — CID 159886948

IUPAC(5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one
SMILESC=C1COc2ncc(N3C[C@H](CNCCOc4nc5c(cc4Cl)ncc(=O)n5C)OC3=O)nc2N1
InChIInChI=1S/C21H21ClN8O5/c1-11-10-34-20-17(26-11)27-15(7-25-20)30-9-12(35-21(30)32)6-23-3-4-33-19-13(22)5-14-18(28-19)29(2)16(31)8-24-14/h5,7-8,12,23H,1,3-4,6,9-10H2,2H3,(H,26,27)/t12-/m0/s1
InChIKeyDSRZRTPSNBLXNM-LBPRGKRZSA-N
MW500.90 g/mol
LogP1.08
Rot. Bonds7

About (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one

(5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 159886948) has the molecular formula C21H21ClN8O5 and a molecular weight of 500.90 g/mol. Its IUPAC name is (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID159886948
Molecular FormulaC21H21ClN8O5
Molecular Weight500.90 g/mol
Exact Mass500.13
IUPAC Name(5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one
SMILESC=C1COc2ncc(N3C[C@H](CNCCOc4nc5c(cc4Cl)ncc(=O)n5C)OC3=O)nc2N1
InChIInChI=1S/C21H21ClN8O5/c1-11-10-34-20-17(26-11)27-15(7-25-20)30-9-12(35-21(30)32)6-23-3-4-33-19-13(22)5-14-18(28-19)29(2)16(31)8-24-14/h5,7-8,12,23H,1,3-4,6,9-10H2,2H3,(H,26,27)/t12-/m0/s1
InChIKeyDSRZRTPSNBLXNM-LBPRGKRZSA-N
XLogP1.08
TPSA145.62 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.90
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one (CID 159886948) is (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one is C=C1COc2ncc(N3C[C@H](CNCCOc4nc5c(cc4Cl)ncc(=O)n5C)OC3=O)nc2N1.
What is the InChIKey of (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is DSRZRTPSNBLXNM-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H21ClN8O5/c1-11-10-34-20-17(26-11)27-15(7-25-20)30-9-12(35-21(30)32)6-23-3-4-33-19-13(22)5-14-18(28-19)29(2)16(31)8-24-14/h5,7-8,12,23H,1,3-4,6,9-10H2,2H3,(H,26,27)/t12-/m0/s1.
What are the key properties of (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one?
(5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 500.90 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 159886948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).