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

C19H15N3O — CID 129052080

IUPAC1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1
InChIInChI=1S/C19H15N3O/c23-19-9-8-17(13-22(19)12-14-4-2-1-3-5-14)15-6-7-16-11-20-21-18(16)10-15/h1-11,13H,12H2,(H,20,21)
InChIKeyIMLMBHVOASBVOW-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.44
Rot. Bonds3

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

1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one (PubChem CID 129052080) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one
PubChem CID129052080
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1
InChIInChI=1S/C19H15N3O/c23-19-9-8-17(13-22(19)12-14-4-2-1-3-5-14)15-6-7-16-11-20-21-18(16)10-15/h1-11,13H,12H2,(H,20,21)
InChIKeyIMLMBHVOASBVOW-UHFFFAOYSA-N
XLogP3.44
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4412719
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CID 10469531
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CID 11687579
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CID 16661285
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CID 22933424
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one (CID 129052080) is 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one is O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one?
The InChIKey is IMLMBHVOASBVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-19-9-8-17(13-22(19)12-14-4-2-1-3-5-14)15-6-7-16-11-20-21-18(16)10-15/h1-11,13H,12H2,(H,20,21).
What are the key properties of 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one?
1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one has a molecular weight of 301.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(1H-indazol-6-yl)pyridin-2-one is sourced from PubChem (CID 129052080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).