N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H21FN4O4 — CID 21352841

IUPACN-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCn4cnc(CO)c4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN4O4/c1-12(27)22-8-15-9-25(20(28)29-15)14-2-3-16(17(21)7-14)13-4-5-24-11-23-18(10-26)19(24)6-13/h2-4,7,11,15,26H,5-6,8-10H2,1H3,(H,22,27)/t15-/m0/s1
InChIKeyJQPDWIFLAYYVGO-HNNXBMFYSA-N
MW400.41 g/mol
LogP1.62
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 21352841) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID21352841
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCn4cnc(CO)c4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN4O4/c1-12(27)22-8-15-9-25(20(28)29-15)14-2-3-16(17(21)7-14)13-4-5-24-11-23-18(10-26)19(24)6-13/h2-4,7,11,15,26H,5-6,8-10H2,1H3,(H,22,27)/t15-/m0/s1
InChIKeyJQPDWIFLAYYVGO-HNNXBMFYSA-N
XLogP1.62
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352840
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
N-[[3-[3-fluoro-4-[(1S)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57138415
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
N-[[(5S)-3-[4-(5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352850
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 142682767
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 21352841) is N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3=CCn4cnc(CO)c4C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JQPDWIFLAYYVGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-12(27)22-8-15-9-25(20(28)29-15)14-2-3-16(17(21)7-14)13-4-5-24-11-23-18(10-26)19(24)6-13/h2-4,7,11,15,26H,5-6,8-10H2,1H3,(H,22,27)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 400.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 21352841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).