[5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium

C26H24ClF2N5O8P+ — CID 155006616

About [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium

[5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium (PubChem CID 155006616) has the molecular formula C26H24ClF2N5O8P+ and a molecular weight of 638.93 g/mol. Its IUPAC name is [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium.

Molecular Properties

• Compound Name: [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium
• PubChem CID: 155006616
• Molecular Formula: C26H24ClF2N5O8P+
• Molecular Weight: 638.93 g/mol
• Exact Mass: 638.10
• IUPAC Name: [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium
• SMILES: CCOC1C=CN(c2ccc(F)c(CO[P+](O)(O)N=O)c2)C(=O)C1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
• InChI: InChI=1S/C26H23ClF2N5O8P/c1-2-40-20-8-10-34(16-4-5-17(28)14(11-16)13-41-43(38,39)33-37)26(36)22(20)25(35)32-15-3-6-19(18(29)12-15)42-21-7-9-31-24(30)23(21)27/h3-12,20,22,38-39H,2,13H2,1H3,(H2-,30,31,32,35)/p+1
• InChIKey: WGXFDTHGJQRFEO-UHFFFAOYSA-O
• XLogP: 4.85
• TPSA: 185.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.93
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium?

The IUPAC name of [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium (CID 155006616) is [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium.

What is the SMILES notation for [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium?

The canonical SMILES for [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium is CCOC1C=CN(c2ccc(F)c(CO[P+](O)(O)N=O)c2)C(=O)C1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.

What is the InChIKey of [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium?

The InChIKey is WGXFDTHGJQRFEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23ClF2N5O8P/c1-2-40-20-8-10-34(16-4-5-17(28)14(11-16)13-41-43(38,39)33-37)26(36)22(20)25(35)32-15-3-6-19(18(29)12-15)42-21-7-9-31-24(30)23(21)27/h3-12,20,22,38-39H,2,13H2,1H3,(H2-,30,31,32,35)/p+1.

What are the key properties of [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium?

[5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium has a molecular weight of 638.93 g/mol, XLogP of 4.85, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium is sourced from PubChem (CID 155006616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).