N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen

C₂₃H₂₇F₂N₅O₃ — CID 176996081

About N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen

N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen (PubChem CID 176996081) has the molecular formula C₂₃H₂₇F₂N₅O₃ and a molecular weight of 459.50 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen
• PubChem CID: 176996081
• Molecular Formula: C₂₃H₂₇F₂N₅O₃
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.21
• IUPAC Name: N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen
• SMILES: Cc1nc2ccc(CN3C[C@H](Oc4ccc(C(=O)NC5CC5)nc4F)[C@H]3C)c(F)c2[nH]c1=O.[H][H].[H][H]
• InChI: InChI=1S/C23H23F2N5O3.2H2/c1-11-22(31)29-20-15(26-11)6-3-13(19(20)24)9-30-10-18(12(30)2)33-17-8-7-16(28-21(17)25)23(32)27-14-4-5-14;;/h3,6-8,12,14,18H,4-5,9-10H2,1-2H3,(H,27,32)(H,29,31);2*1H/t12-,18+;;/m1../s1
• InChIKey: OPWYSLBDTSWNLZ-FIWZRGJFSA-N
• XLogP: 2.94
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen?

The IUPAC name of N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen (CID 176996081) is N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen?

The canonical SMILES for N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen is Cc1nc2ccc(CN3C[C@H](Oc4ccc(C(=O)NC5CC5)nc4F)[C@H]3C)c(F)c2[nH]c1=O.[H][H].[H][H].

What is the InChIKey of N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen?

The InChIKey is OPWYSLBDTSWNLZ-FIWZRGJFSA-N. The full InChI is InChI=1S/C23H23F2N5O3.2H2/c1-11-22(31)29-20-15(26-11)6-3-13(19(20)24)9-30-10-18(12(30)2)33-17-8-7-16(28-21(17)25)23(32)27-14-4-5-14;;/h3,6-8,12,14,18H,4-5,9-10H2,1-2H3,(H,27,32)(H,29,31);2*1H/t12-,18+;;/m1../s1.

What are the key properties of N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen?

N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen has a molecular weight of 459.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-fluoro-5-[(2R,3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 176996081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 176996081 — identifiers, structure, computed properties (public domain)

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