1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

C7H7ClN4O — CID 135493837

IUPAC1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(N)c2[nH]c(Cl)cc(=O)c12
InChIInChI=1S/C7H7ClN4O/c1-3-6-4(13)2-5(8)10-7(6)12(9)11-3/h2H,9H2,1H3,(H,10,13)
InChIKeyLFWIOYPGAJWHMD-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.40
Rot. Bonds

About 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135493837) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135493837
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(N)c2[nH]c(Cl)cc(=O)c12
InChIInChI=1S/C7H7ClN4O/c1-3-6-4(13)2-5(8)10-7(6)12(9)11-3/h2H,9H2,1H3,(H,10,13)
InChIKeyLFWIOYPGAJWHMD-UHFFFAOYSA-N
XLogP0.40
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 137218174
5-Chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 135968105
1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one
CID 135818445
5-Amino-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 136350704
6-Chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 136898084
3-Methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 137086393

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135493837) is 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(N)c2[nH]c(Cl)cc(=O)c12.
What is the InChIKey of 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is LFWIOYPGAJWHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c1-3-6-4(13)2-5(8)10-7(6)12(9)11-3/h2H,9H2,1H3,(H,10,13).
What are the key properties of 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 198.61 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135493837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).