formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile

C23H24N6O7 — CID 166759653

IUPACformic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1CC(NCC(O)CC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2.O=CO
InChIInChI=1S/C22H22N6O5.CH2O2/c23-7-13-3-1-2-12-4-14(5-17(12)13)24-8-15(29)6-16-10-28(22(31)33-16)18-9-25-21-20(26-18)27-19(30)11-32-21;2-1-3/h1-3,9,14-16,24,29H,4-6,8,10-11H2,(H,26,27,30);1H,(H,2,3)
InChIKeyKTRINKDGIGORQR-UHFFFAOYSA-N
MW496.48 g/mol
LogP0.21
Rot. Bonds6

About formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile

formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 166759653) has the molecular formula C23H24N6O7 and a molecular weight of 496.48 g/mol. Its IUPAC name is formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Nameformic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID166759653
Molecular FormulaC23H24N6O7
Molecular Weight496.48 g/mol
Exact Mass496.17
IUPAC Nameformic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1CC(NCC(O)CC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2.O=CO
InChIInChI=1S/C22H22N6O5.CH2O2/c23-7-13-3-1-2-12-4-14(5-17(12)13)24-8-15(29)6-16-10-28(22(31)33-16)18-9-25-21-20(26-18)27-19(30)11-32-21;2-1-3/h1-3,9,14-16,24,29H,4-6,8,10-11H2,(H,26,27,30);1H,(H,2,3)
InChIKeyKTRINKDGIGORQR-UHFFFAOYSA-N
XLogP0.21
TPSA187.00 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 156861880
2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 156862569
tert-butyl N-[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]carbamate
CID 156861907
2-[[[2-methyl-1-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl]amino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
CID 156861823
6-[(5R)-5-[2-[1-(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)ethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid
CID 166759761
6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
CID 156861686
6-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
CID 166759459
6-[(5R)-5-[2-[[(6S)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862350
6-[5-[2-[(1-chloro-4-fluoro-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862015
5-(2-aminopropoxy)-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;formic acid
CID 166759764
1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid
CID 166759351
6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid
CID 166759432

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile (CID 166759653) is formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1cccc2c1CC(NCC(O)CC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2.O=CO.
What is the InChIKey of formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is KTRINKDGIGORQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5.CH2O2/c23-7-13-3-1-2-12-4-14(5-17(12)13)24-8-15(29)6-16-10-28(22(31)33-16)18-9-25-21-20(26-18)27-19(30)11-32-21;2-1-3/h1-3,9,14-16,24,29H,4-6,8,10-11H2,(H,26,27,30);1H,(H,2,3).
What are the key properties of formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile?
formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 496.48 g/mol, XLogP of 0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 166759653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).