(5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C26H30FN7O3 — CID 23626282

IUPAC(5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1CCN(CCCC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C26H30FN7O3/c1-31-11-13-32(14-12-31)9-2-3-25(35)24-7-4-19(16-28-24)22-6-5-20(15-23(22)27)34-18-21(37-26(34)36)17-33-10-8-29-30-33/h4-8,10,15-16,21H,2-3,9,11-14,17-18H2,1H3/t21-/m0/s1
InChIKeyLRYOKJHAVXZNBC-NRFANRHFSA-N
MW507.57 g/mol
LogP2.71
Rot. Bonds9

About (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23626282) has the molecular formula C26H30FN7O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23626282
Molecular FormulaC26H30FN7O3
Molecular Weight507.57 g/mol
Exact Mass507.24
IUPAC Name(5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1CCN(CCCC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C26H30FN7O3/c1-31-11-13-32(14-12-31)9-2-3-25(35)24-7-4-19(16-28-24)22-6-5-20(15-23(22)27)34-18-21(37-26(34)36)17-33-10-8-29-30-33/h4-8,10,15-16,21H,2-3,9,11-14,17-18H2,1H3/t21-/m0/s1
InChIKeyLRYOKJHAVXZNBC-NRFANRHFSA-N
XLogP2.71
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-[3-fluoro-4-[6-(nitrosomethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 91314521
(5R)-3-[3-fluoro-4-[6-[(1S)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626437
3-[3-fluoro-4-[6-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-methylmorpholine
CID 143143123
3-[3-fluoro-4-[6-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 73445534
(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyethyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10072495
(1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 71147960
(5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 73355583
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137
3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 73086611
(5R)-3-[3-fluoro-4-[6-[(5S)-5-(2,2,4,4-tetramethylpentan-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 90686320
(5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11662407
tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate
CID 68615492

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23626282) is (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CN1CCN(CCCC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is LRYOKJHAVXZNBC-NRFANRHFSA-N. The full InChI is InChI=1S/C26H30FN7O3/c1-31-11-13-32(14-12-31)9-2-3-25(35)24-7-4-19(16-28-24)22-6-5-20(15-23(22)27)34-18-21(37-26(34)36)17-33-10-8-29-30-33/h4-8,10,15-16,21H,2-3,9,11-14,17-18H2,1H3/t21-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 507.57 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23626282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).