1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one

C19H14N4O3 — CID 129052092

IUPAC1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2cc([N+](=O)[O-])c3cn[nH]c3c2)cn1Cc1ccccc1
InChIInChI=1S/C19H14N4O3/c24-19-7-6-14(12-22(19)11-13-4-2-1-3-5-13)15-8-17-16(10-20-21-17)18(9-15)23(25)26/h1-10,12H,11H2,(H,20,21)
InChIKeyAGDGOHSCXWXGBR-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.35
Rot. Bonds4

About 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one

1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one (PubChem CID 129052092) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one
PubChem CID129052092
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2cc([N+](=O)[O-])c3cn[nH]c3c2)cn1Cc1ccccc1
InChIInChI=1S/C19H14N4O3/c24-19-7-6-14(12-22(19)11-13-4-2-1-3-5-13)15-8-17-16(10-20-21-17)18(9-15)23(25)26/h1-10,12H,11H2,(H,20,21)
InChIKeyAGDGOHSCXWXGBR-UHFFFAOYSA-N
XLogP3.35
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one (CID 129052092) is 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one is O=c1ccc(-c2cc([N+](=O)[O-])c3cn[nH]c3c2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one?
The InChIKey is AGDGOHSCXWXGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-19-7-6-14(12-22(19)11-13-4-2-1-3-5-13)15-8-17-16(10-20-21-17)18(9-15)23(25)26/h1-10,12H,11H2,(H,20,21).
What are the key properties of 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one?
1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one has a molecular weight of 346.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-nitro-1H-indazol-6-yl)pyridin-2-one is sourced from PubChem (CID 129052092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).