1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

C33H46BrN7O4 — CID 144656961

IUPAC1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCC.CN1CCN(c2ccc(Br)cn2)CC1.COc1cc(-c2ccc(N3CCN(C)CC3)nc2)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C21H26N4O4.C10H14BrN3.C2H6/c1-23-7-9-24(10-8-23)20-6-4-16(12-22-20)15-3-5-18(19(11-15)28-2)25-13-17(14-26)29-21(25)27;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;1-2/h3-6,11-12,17,26H,7-10,13-14H2,1-2H3;2-3,8H,4-7H2,1H3;1-2H3
InChIKeyCJACBVWWUWZMHU-UHFFFAOYSA-N
MW684.68 g/mol
LogP4.45
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 144656961) has the molecular formula C33H46BrN7O4 and a molecular weight of 684.68 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID144656961
Molecular FormulaC33H46BrN7O4
Molecular Weight684.68 g/mol
Exact Mass683.28
IUPAC Name1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCC.CN1CCN(c2ccc(Br)cn2)CC1.COc1cc(-c2ccc(N3CCN(C)CC3)nc2)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C21H26N4O4.C10H14BrN3.C2H6/c1-23-7-9-24(10-8-23)20-6-4-16(12-22-20)15-3-5-18(19(11-15)28-2)25-13-17(14-26)29-21(25)27;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;1-2/h3-6,11-12,17,26H,7-10,13-14H2,1-2H3;2-3,8H,4-7H2,1H3;1-2H3
InChIKeyCJACBVWWUWZMHU-UHFFFAOYSA-N
XLogP4.45
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500684.68
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite
CID 144656972
3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 144656957
(5R)-5-(azidomethyl)-3-[4-[4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-oxazolidin-2-one
CID 10027664
(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 70050434
5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 130413931
3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 170608820
(3R,3aS)-3-(hydroxymethyl)-7-[6-[(5S)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
CID 71601236
(5R)-3-[2,3-difluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56928300
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
2-[[(5S)-3-(5-bromo-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 141389337
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 37406488
(5R)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 162135714

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 144656961) is 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is CC.CN1CCN(c2ccc(Br)cn2)CC1.COc1cc(-c2ccc(N3CCN(C)CC3)nc2)ccc1N1CC(CO)OC1=O.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CJACBVWWUWZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4.C10H14BrN3.C2H6/c1-23-7-9-24(10-8-23)20-6-4-16(12-22-20)15-3-5-18(19(11-15)28-2)25-13-17(14-26)29-21(25)27;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;1-2/h3-6,11-12,17,26H,7-10,13-14H2,1-2H3;2-3,8H,4-7H2,1H3;1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 684.68 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 144656961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).