3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride

C24H27ClN4O3 — CID 66636348

IUPAC3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1Nc2ccc(CCN3CCOC3=O)cc2C1=Cc1cc(CN2CC3C[C@@H]3C2)c[nH]1
InChIInChI=1S/C24H26N4O3.ClH/c29-23-21(10-19-7-16(11-25-19)12-27-13-17-9-18(17)14-27)20-8-15(1-2-22(20)26-23)3-4-28-5-6-31-24(28)30;/h1-2,7-8,10-11,17-18,25H,3-6,9,12-14H2,(H,26,29);1H/t17-,18?;/m1./s1
InChIKeyNGJTXSLNUDKGSY-XRVQSCEISA-N
MW454.96 g/mol
LogP3.38
Rot. Bonds6

About 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride

3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 66636348) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID66636348
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1Nc2ccc(CCN3CCOC3=O)cc2C1=Cc1cc(CN2CC3C[C@@H]3C2)c[nH]1
InChIInChI=1S/C24H26N4O3.ClH/c29-23-21(10-19-7-16(11-25-19)12-27-13-17-9-18(17)14-27)20-8-15(1-2-22(20)26-23)3-4-28-5-6-31-24(28)30;/h1-2,7-8,10-11,17-18,25H,3-6,9,12-14H2,(H,26,29);1H/t17-,18?;/m1./s1
InChIKeyNGJTXSLNUDKGSY-XRVQSCEISA-N
XLogP3.38
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride (CID 66636348) is 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1Nc2ccc(CCN3CCOC3=O)cc2C1=Cc1cc(CN2CC3C[C@@H]3C2)c[nH]1.
What is the InChIKey of 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is NGJTXSLNUDKGSY-XRVQSCEISA-N. The full InChI is InChI=1S/C24H26N4O3.ClH/c29-23-21(10-19-7-16(11-25-19)12-27-13-17-9-18(17)14-27)20-8-15(1-2-22(20)26-23)3-4-28-5-6-31-24(28)30;/h1-2,7-8,10-11,17-18,25H,3-6,9,12-14H2,(H,26,29);1H/t17-,18?;/m1./s1.
What are the key properties of 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride?
3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 454.96 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 66636348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).