4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C14H12ClN3O — CID 135530976

IUPAC4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)cc(CCl)c12
InChIInChI=1S/C14H12ClN3O/c1-9-13-10(8-15)7-12(19)16-14(13)18(17-9)11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,16,19)
InChIKeyVUEYIEHELMKAFE-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.76
Rot. Bonds2

About 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135530976) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135530976
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)cc(CCl)c12
InChIInChI=1S/C14H12ClN3O/c1-9-13-10(8-15)7-12(19)16-14(13)18(17-9)11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,16,19)
InChIKeyVUEYIEHELMKAFE-UHFFFAOYSA-N
XLogP2.76
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135562164
1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734247
5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135823739
1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135686640
1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 170916889
3-(2-methoxyphenyl)-4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734250
11-(chloromethyl)-3-methyl-5-phenyl-7-selena-4,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,11-tetraen-9-one
CID 137228477
1,3-diphenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734238
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137048885
4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135712905
5-[[(2-fluorophenyl)methylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802727

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135530976) is 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)cc(CCl)c12.
What is the InChIKey of 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VUEYIEHELMKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-9-13-10(8-15)7-12(19)16-14(13)18(17-9)11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,16,19).
What are the key properties of 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 273.72 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135530976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).