[(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C23H22FN7O2 — CID 72703160

IUPAC[(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2[C@H](Cn3cc(-c4ccc(F)cn4)cn3)OC[C@@H]2C)c1
InChIInChI=1S/C23H22FN7O2/c1-15-3-6-21(31-26-7-8-27-31)19(9-15)23(32)30-16(2)14-33-22(30)13-29-12-17(10-28-29)20-5-4-18(24)11-25-20/h3-12,16,22H,13-14H2,1-2H3/t16-,22-/m0/s1
InChIKeyHROJDHGISWMAPH-AOMKIAJQSA-N
MW447.47 g/mol
LogP2.86
Rot. Bonds5

About [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 72703160) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID72703160
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name[(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2[C@H](Cn3cc(-c4ccc(F)cn4)cn3)OC[C@@H]2C)c1
InChIInChI=1S/C23H22FN7O2/c1-15-3-6-21(31-26-7-8-27-31)19(9-15)23(32)30-16(2)14-33-22(30)13-29-12-17(10-28-29)20-5-4-18(24)11-25-20/h3-12,16,22H,13-14H2,1-2H3/t16-,22-/m0/s1
InChIKeyHROJDHGISWMAPH-AOMKIAJQSA-N
XLogP2.86
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118020622
(4R)-4-methyl-3-[5-methyl-2-(triazol-2-yl)benzoyl]-1,3-oxazolidine-2-carboxylic acid
CID 118020596
ethyl (2S,4S)-4-methyl-3-[5-methyl-2-(triazol-2-yl)benzoyl]-1,3-oxazolidine-2-carboxylate
CID 131734767
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 151352365
3-[2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-5-methyl-2-(triazol-2-yl)benzaldehyde
CID 118020800
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46204245
[2-[[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 72704000
[2-(hydroxymethyl)-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118020544
[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-8-azabicyclo[3.2.1]octan-8-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 130318673
N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 72700457
[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid
CID 118020587
[(3S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 142536135

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 72703160) is [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2[C@H](Cn3cc(-c4ccc(F)cn4)cn3)OC[C@@H]2C)c1.
What is the InChIKey of [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is HROJDHGISWMAPH-AOMKIAJQSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-15-3-6-21(31-26-7-8-27-31)19(9-15)23(32)30-16(2)14-33-22(30)13-29-12-17(10-28-29)20-5-4-18(24)11-25-20/h3-12,16,22H,13-14H2,1-2H3/t16-,22-/m0/s1.
What are the key properties of [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 447.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-4-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 72703160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).