5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one

C19H16N4O — CID 129052096

IUPAC5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccccc4)c3)ccc12
InChIInChI=1S/C19H16N4O/c20-19-16-8-6-14(10-17(16)21-22-19)15-7-9-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H3,20,21,22)
InChIKeySIRSNKXGOCRFCT-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.02
Rot. Bonds3

About 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one

5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one (PubChem CID 129052096) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one.

Molecular Properties

Compound Name5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one
PubChem CID129052096
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccccc4)c3)ccc12
InChIInChI=1S/C19H16N4O/c20-19-16-8-6-14(10-17(16)21-22-19)15-7-9-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H3,20,21,22)
InChIKeySIRSNKXGOCRFCT-UHFFFAOYSA-N
XLogP3.02
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one
CID 129052055
1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
CID 69442572
2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide
CID 173091479
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;6-bromo-3-pyridin-4-yl-1H-indazole
CID 159298300
6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine
CID 46215810
6-pyridin-4-yl-1H-indazol-3-amine;hydrochloride
CID 53317179
1,5-dibenzylpyridin-2-one
CID 24938871
1-benzyl-5-bromopyridin-2-one
CID 15395936
N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064
6-(2,6-dimethylphenyl)-1H-indazol-3-amine
CID 69066632
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890
6-(2H-tetrazol-5-yl)-1H-indazol-3-amine
CID 174058892

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one?
The IUPAC name of 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one (CID 129052096) is 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one.
What is the SMILES notation for 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one?
The canonical SMILES for 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one is Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccccc4)c3)ccc12.
What is the InChIKey of 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one?
The InChIKey is SIRSNKXGOCRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-19-16-8-6-14(10-17(16)21-22-19)15-7-9-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H3,20,21,22).
What are the key properties of 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one?
5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-indazol-6-yl)-1-benzylpyridin-2-one is sourced from PubChem (CID 129052096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).