5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide

C24H27F2N5O4 — CID 178131949

IUPAC5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCC1Oc2c(F)cc(CN3CC(Oc4ccc(C(=O)NN5CCCC5)nc4F)C3)cc2NC1=O
InChIInChI=1S/C24H27F2N5O4/c1-2-19-24(33)28-18-10-14(9-16(25)21(18)35-19)11-30-12-15(13-30)34-20-6-5-17(27-22(20)26)23(32)29-31-7-3-4-8-31/h5-6,9-10,15,19H,2-4,7-8,11-13H2,1H3,(H,28,33)(H,29,32)
InChIKeyXIXLAJRMFNCFDV-UHFFFAOYSA-N
MW487.51 g/mol
LogP2.47
Rot. Bonds7

About 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide

5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 178131949) has the molecular formula C24H27F2N5O4 and a molecular weight of 487.51 g/mol. Its IUPAC name is 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID178131949
Molecular FormulaC24H27F2N5O4
Molecular Weight487.51 g/mol
Exact Mass487.20
IUPAC Name5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCC1Oc2c(F)cc(CN3CC(Oc4ccc(C(=O)NN5CCCC5)nc4F)C3)cc2NC1=O
InChIInChI=1S/C24H27F2N5O4/c1-2-19-24(33)28-18-10-14(9-16(25)21(18)35-19)11-30-12-15(13-30)34-20-6-5-17(27-22(20)26)23(32)29-31-7-3-4-8-31/h5-6,9-10,15,19H,2-4,7-8,11-13H2,1H3,(H,28,33)(H,29,32)
InChIKeyXIXLAJRMFNCFDV-UHFFFAOYSA-N
XLogP2.47
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide 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

5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]-6-fluoropyridine-2-carboxylic acid
CID 178131867
5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N'-methylpyridine-2-carbohydrazide
CID 178131849
6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride
CID 178132053
5-[4-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 178131753
5-[4-[(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169189566
5-[4-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-(3-fluoroazetidin-1-yl)pyridine-2-carboxamide
CID 178131954
5-[4-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxamide
CID 178131699
6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide
CID 178131821
N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189638
6-fluoro-5-[(3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide
CID 176996033
5-[1-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
CID 169189769
5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
CID 169189691

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide (CID 178131949) is 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide is CCC1Oc2c(F)cc(CN3CC(Oc4ccc(C(=O)NN5CCCC5)nc4F)C3)cc2NC1=O.
What is the InChIKey of 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is XIXLAJRMFNCFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O4/c1-2-19-24(33)28-18-10-14(9-16(25)21(18)35-19)11-30-12-15(13-30)34-20-6-5-17(27-22(20)26)23(32)29-31-7-3-4-8-31/h5-6,9-10,15,19H,2-4,7-8,11-13H2,1H3,(H,28,33)(H,29,32).
What are the key properties of 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide?
5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 178131949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).