6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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

C23H27FN6O4 — CID 166759498

IUPAC6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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
SMILESCc1ncc(F)c2c1CC(N(C)CCC1(CN)CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C23H27FN6O4/c1-13-15-7-14(8-16(15)17(24)9-26-13)29(2)6-5-23(11-25)12-30(22(32)34-23)19-4-3-18-21(27-19)28-20(31)10-33-18/h3-4,9,14H,5-8,10-12,25H2,1-2H3,(H,27,28,31)
InChIKeyLEIJBLNCSHGESD-UHFFFAOYSA-N
MW470.51 g/mol
LogP1.40
Rot. Bonds6

About 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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

6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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 (PubChem CID 166759498) has the molecular formula C23H27FN6O4 and a molecular weight of 470.51 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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.

Molecular Properties

Compound Name6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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
PubChem CID166759498
Molecular FormulaC23H27FN6O4
Molecular Weight470.51 g/mol
Exact Mass470.21
IUPAC Name6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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
SMILESCc1ncc(F)c2c1CC(N(C)CCC1(CN)CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C23H27FN6O4/c1-13-15-7-14(8-16(15)17(24)9-26-13)29(2)6-5-23(11-25)12-30(22(32)34-23)19-4-3-18-21(27-19)28-20(31)10-33-18/h3-4,9,14H,5-8,10-12,25H2,1-2H3,(H,27,28,31)
InChIKeyLEIJBLNCSHGESD-UHFFFAOYSA-N
XLogP1.40
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate
CID 156862685
6-[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862793
6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid
CID 166759417
6-[5-[2-[(4-chloro-1-methyl-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 156862265
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-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]cyclobutyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156861993
6-[(5S)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 166766508
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-[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
6-[5-[[(4-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 166759607
methylsulfanylmethane;6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490527
3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal
CID 87367134

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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?
The IUPAC name of 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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 166759498) is 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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.
What is the SMILES notation for 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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?
The canonical SMILES for 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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 is Cc1ncc(F)c2c1CC(N(C)CCC1(CN)CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.
What is the InChIKey of 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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?
The InChIKey is LEIJBLNCSHGESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O4/c1-13-15-7-14(8-16(15)17(24)9-26-13)29(2)6-5-23(11-25)12-30(22(32)34-23)19-4-3-18-21(27-19)28-20(31)10-33-18/h3-4,9,14H,5-8,10-12,25H2,1-2H3,(H,27,28,31).
What are the key properties of 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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?
6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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 has a molecular weight of 470.51 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-5-[2-[(4-fluoro-1-methyl-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 is sourced from PubChem (CID 166759498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).