5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one

C21H29ClN6O3 — CID 174226368

IUPAC5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one
SMILESCC(N)COc1cc2c(c(Cl)n1)CC(CNCCC1CN(C3=CNCC=N3)C(=O)O1)C2
InChIInChI=1S/C21H29ClN6O3/c1-13(23)12-30-19-8-15-6-14(7-17(15)20(22)27-19)9-24-3-2-16-11-28(21(29)31-16)18-10-25-4-5-26-18/h5,8,10,13-14,16,24-25H,2-4,6-7,9,11-12,23H2,1H3
InChIKeyMXSFRGBISFYRPK-UHFFFAOYSA-N
MW448.96 g/mol
LogP1.45
Rot. Bonds9

About 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one

5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one (PubChem CID 174226368) has the molecular formula C21H29ClN6O3 and a molecular weight of 448.96 g/mol. Its IUPAC name is 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one
PubChem CID174226368
Molecular FormulaC21H29ClN6O3
Molecular Weight448.96 g/mol
Exact Mass448.20
IUPAC Name5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one
SMILESCC(N)COc1cc2c(c(Cl)n1)CC(CNCCC1CN(C3=CNCC=N3)C(=O)O1)C2
InChIInChI=1S/C21H29ClN6O3/c1-13(23)12-30-19-8-15-6-14(7-17(15)20(22)27-19)9-24-3-2-16-11-28(21(29)31-16)18-10-25-4-5-26-18/h5,8,10,13-14,16,24-25H,2-4,6-7,9,11-12,23H2,1H3
InChIKeyMXSFRGBISFYRPK-UHFFFAOYSA-N
XLogP1.45
TPSA114.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one
CID 175351124
6-[5-[2-[[3-[(1-aminocyclopropyl)methoxy]-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862770
6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]-methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 166759704
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
(2R)-2-amino-N-[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]-3-methoxypropanamide
CID 167514645
6-[(5R)-5-[2-[[6-(2-amino-2-methylpropoxy)-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
CID 156861855
6-[5-[2-[[3-[(2R)-2-amino-3-hydroxypropoxy]-4-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862499
2-[[7-fluoro-2-[[2-[(5R)-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]acetamide
CID 156862901
N-ethyl-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]acetamide
CID 156861873
2-amino-N-[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]-2-methylpropanamide
CID 167514439
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
2-(dimethylamino)-N-[7-fluoro-2-[[2-[(5R)-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]propanamide
CID 175552422

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one (CID 174226368) is 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one is CC(N)COc1cc2c(c(Cl)n1)CC(CNCCC1CN(C3=CNCC=N3)C(=O)O1)C2.
What is the InChIKey of 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is MXSFRGBISFYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN6O3/c1-13(23)12-30-19-8-15-6-14(7-17(15)20(22)27-19)9-24-3-2-16-11-28(21(29)31-16)18-10-25-4-5-26-18/h5,8,10,13-14,16,24-25H,2-4,6-7,9,11-12,23H2,1H3.
What are the key properties of 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one?
5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 448.96 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[3-(2-aminopropoxy)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 174226368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).