N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide

C25H26FN5O4 — CID 163298526

About N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide

N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide (PubChem CID 163298526) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide
• PubChem CID: 163298526
• Molecular Formula: C25H26FN5O4
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.20
• IUPAC Name: N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide
• SMILES: C=CC(=O)N(C)CCOc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1OC)C(=O)NCC2
• InChI: InChI=1S/C25H26FN5O4/c1-4-20(32)31(2)12-13-35-19-14-27-10-8-15(19)22-23(21-17(29-22)9-11-28-25(21)33)30-18-7-5-6-16(26)24(18)34-3/h4-8,10,14,29-30H,1,9,11-13H2,2-3H3,(H,28,33)
• InChIKey: SIDMCPIKYNWJOR-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 108.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide?

The IUPAC name of N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide (CID 163298526) is N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide.

What is the SMILES notation for N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide?

The canonical SMILES for N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CCOc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1OC)C(=O)NCC2.

What is the InChIKey of N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide?

The InChIKey is SIDMCPIKYNWJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c1-4-20(32)31(2)12-13-35-19-14-27-10-8-15(19)22-23(21-17(29-22)9-11-28-25(21)33)30-18-7-5-6-16(26)24(18)34-3/h4-8,10,14,29-30H,1,9,11-13H2,2-3H3,(H,28,33).

What are the key properties of N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide?

N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide has a molecular weight of 479.51 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 163298526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).