N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H20FN5O3 — CID 10172936

IUPACN-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC#CCn1ncc2c1CN(c1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C2
InChIInChI=1S/C20H20FN5O3/c1-3-6-26-19-12-24(10-14(19)8-23-26)18-5-4-15(7-17(18)21)25-11-16(29-20(25)28)9-22-13(2)27/h1,4-5,7-8,16H,6,9-12H2,2H3,(H,22,27)/t16-/m0/s1
InChIKeyJULWUBQRXQUAIT-INIZCTEOSA-N
MW397.41 g/mol
LogP1.64
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10172936) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10172936
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC#CCn1ncc2c1CN(c1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C2
InChIInChI=1S/C20H20FN5O3/c1-3-6-26-19-12-24(10-14(19)8-23-26)18-5-4-15(7-17(18)21)25-11-16(29-20(25)28)9-22-13(2)27/h1,4-5,7-8,16H,6,9-12H2,2H3,(H,22,27)/t16-/m0/s1
InChIKeyJULWUBQRXQUAIT-INIZCTEOSA-N
XLogP1.64
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

Rwj-416457
CID 15984076
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71477479
N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10337481
N-[[(5S)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10757894
N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10525860
tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate
CID 10550733
N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10593461
N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10667846
N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10712309
N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10714490
N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10735311
N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 72859948

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10172936) is N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C#CCn1ncc2c1CN(c1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C2.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JULWUBQRXQUAIT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-3-6-26-19-12-24(10-14(19)8-23-26)18-5-4-15(7-17(18)21)25-11-16(29-20(25)28)9-22-13(2)27/h1,4-5,7-8,16H,6,9-12H2,2H3,(H,22,27)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 397.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(1-prop-2-ynyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10172936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).