2-(pyridin-2-ylmethyl)-1H-indazol-3-one

C13H11N3O — CID 14898722

IUPAC2-(pyridin-2-ylmethyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1Cc1ccccn1
InChIInChI=1S/C13H11N3O/c17-13-11-6-1-2-7-12(11)15-16(13)9-10-5-3-4-8-14-10/h1-8,15H,9H2
InChIKeyNZOJCPNWISMMAJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.77
Rot. Bonds2

About 2-(pyridin-2-ylmethyl)-1H-indazol-3-one

2-(pyridin-2-ylmethyl)-1H-indazol-3-one (PubChem CID 14898722) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-1H-indazol-3-one.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-1H-indazol-3-one
PubChem CID14898722
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(pyridin-2-ylmethyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1Cc1ccccn1
InChIInChI=1S/C13H11N3O/c17-13-11-6-1-2-7-12(11)15-16(13)9-10-5-3-4-8-14-10/h1-8,15H,9H2
InChIKeyNZOJCPNWISMMAJ-UHFFFAOYSA-N
XLogP1.77
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

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Pkn1/2-IN-1
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CID 23585245
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
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N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-1H-indazol-3-one?
The IUPAC name of 2-(pyridin-2-ylmethyl)-1H-indazol-3-one (CID 14898722) is 2-(pyridin-2-ylmethyl)-1H-indazol-3-one.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-1H-indazol-3-one?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-1H-indazol-3-one is O=c1c2ccccc2[nH]n1Cc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-1H-indazol-3-one?
The InChIKey is NZOJCPNWISMMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-11-6-1-2-7-12(11)15-16(13)9-10-5-3-4-8-14-10/h1-8,15H,9H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-1H-indazol-3-one?
2-(pyridin-2-ylmethyl)-1H-indazol-3-one has a molecular weight of 225.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-1H-indazol-3-one is sourced from PubChem (CID 14898722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).