[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone

C20H21F2N3O2 — CID 167526882

IUPAC[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
SMILESC[C@H]1COc2nc(C(=O)N3CC[C@H](F)C3)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C20H21F2N3O2/c1-12-11-27-19-17(23-12)9-14(8-13-2-4-15(21)5-3-13)18(24-19)20(26)25-7-6-16(22)10-25/h2-5,9,12,16,23H,6-8,10-11H2,1H3/t12-,16-/m0/s1
InChIKeyVYGJELLPCCQFAZ-LRDDRELGSA-N
MW373.40 g/mol
LogP3.19
Rot. Bonds3

About [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone

[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 167526882) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID167526882
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
SMILESC[C@H]1COc2nc(C(=O)N3CC[C@H](F)C3)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C20H21F2N3O2/c1-12-11-27-19-17(23-12)9-14(8-13-2-4-15(21)5-3-13)18(24-19)20(26)25-7-6-16(22)10-25/h2-5,9,12,16,23H,6-8,10-11H2,1H3/t12-,16-/m0/s1
InChIKeyVYGJELLPCCQFAZ-LRDDRELGSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone (CID 167526882) is [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone is C[C@H]1COc2nc(C(=O)N3CC[C@H](F)C3)c(Cc3ccc(F)cc3)cc2N1.
What is the InChIKey of [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is VYGJELLPCCQFAZ-LRDDRELGSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-12-11-27-19-17(23-12)9-14(8-13-2-4-15(21)5-3-13)18(24-19)20(26)25-7-6-16(22)10-25/h2-5,9,12,16,23H,6-8,10-11H2,1H3/t12-,16-/m0/s1.
What are the key properties of [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 373.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 167526882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).