1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride

C9H8ClN3O — CID 45081942

IUPAC1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
SMILESCc1nn(C)c2ncc(C(=O)Cl)cc12
InChIInChI=1S/C9H8ClN3O/c1-5-7-3-6(8(10)14)4-11-9(7)13(2)12-5/h3-4H,1-2H3
InChIKeyBPYULXLPWORSAF-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.66
Rot. Bonds1

About 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride

1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride (PubChem CID 45081942) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride.

Molecular Properties

Compound Name1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
PubChem CID45081942
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
SMILESCc1nn(C)c2ncc(C(=O)Cl)cc12
InChIInChI=1S/C9H8ClN3O/c1-5-7-3-6(8(10)14)4-11-9(7)13(2)12-5/h3-4H,1-2H3
InChIKeyBPYULXLPWORSAF-UHFFFAOYSA-N
XLogP1.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 43051380
(1-amino-1-oxopropan-2-yl) 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513865
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
1,3-dimethyl-N-(3-methylcyclopentyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 114549712
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 112551049
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-methylpropanoate
CID 43074404
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
methyl 4-chloro-3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]benzoate
CID 78839848
[2-(diethylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46519914
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride?
The IUPAC name of 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride (CID 45081942) is 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride.
What is the SMILES notation for 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride?
The canonical SMILES for 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride is Cc1nn(C)c2ncc(C(=O)Cl)cc12.
What is the InChIKey of 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride?
The InChIKey is BPYULXLPWORSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-5-7-3-6(8(10)14)4-11-9(7)13(2)12-5/h3-4H,1-2H3.
What are the key properties of 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride?
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride has a molecular weight of 209.64 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride is sourced from PubChem (CID 45081942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).