5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one

C19H14FN5O3 — CID 129052055

IUPAC5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc([N+](=O)[O-])c4F)c3)ccc12
InChIInChI=1S/C19H14FN5O3/c20-18-13(2-1-3-16(18)25(27)28)10-24-9-12(5-7-17(24)26)11-4-6-14-15(8-11)22-23-19(14)21/h1-9H,10H2,(H3,21,22,23)
InChIKeyQAEOEMYWFWLSBL-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.07
Rot. Bonds4

About 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one

5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one (PubChem CID 129052055) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one
PubChem CID129052055
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc([N+](=O)[O-])c4F)c3)ccc12
InChIInChI=1S/C19H14FN5O3/c20-18-13(2-1-3-16(18)25(27)28)10-24-9-12(5-7-17(24)26)11-4-6-14-15(8-11)22-23-19(14)21/h1-9H,10H2,(H3,21,22,23)
InChIKeyQAEOEMYWFWLSBL-UHFFFAOYSA-N
XLogP3.07
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one (CID 129052055) is 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one is Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc([N+](=O)[O-])c4F)c3)ccc12.
What is the InChIKey of 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one?
The InChIKey is QAEOEMYWFWLSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c20-18-13(2-1-3-16(18)25(27)28)10-24-9-12(5-7-17(24)26)11-4-6-14-15(8-11)22-23-19(14)21/h1-9H,10H2,(H3,21,22,23).
What are the key properties of 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one?
5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one has a molecular weight of 379.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 129052055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).