6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one

C14H12ClFN4O2 — CID 134438512

IUPAC6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(F)cccc1Nc1cc(Cl)nc2[nH]n(C)c(=O)c12
InChIInChI=1S/C14H12ClFN4O2/c1-20-14(21)11-9(6-10(15)18-13(11)19-20)17-8-5-3-4-7(16)12(8)22-2/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyFTGGBMHLJVPJQV-UHFFFAOYSA-N
MW322.73 g/mol
LogP2.81
Rot. Bonds3

About 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one

6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 134438512) has the molecular formula C14H12ClFN4O2 and a molecular weight of 322.73 g/mol. Its IUPAC name is 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID134438512
Molecular FormulaC14H12ClFN4O2
Molecular Weight322.73 g/mol
Exact Mass322.06
IUPAC Name6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(F)cccc1Nc1cc(Cl)nc2[nH]n(C)c(=O)c12
InChIInChI=1S/C14H12ClFN4O2/c1-20-14(21)11-9(6-10(15)18-13(11)19-20)17-8-5-3-4-7(16)12(8)22-2/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyFTGGBMHLJVPJQV-UHFFFAOYSA-N
XLogP2.81
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 53556400
2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 45028722
4-(3-chloro-2-methoxyanilino)-2-methyl-6-[[5-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438487
6-[[5-(azetidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-yl]amino]-4-(3-chloro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438506
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-(pyridin-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438513
6-[[4-(3-fluoro-2-methoxyanilino)-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-2-carbonitrile
CID 134438519
N-[4-(3-fluoro-2-methoxyanilino)-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438521
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438524
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438526
4-(3-chloro-2-methoxyanilino)-6-[[5-(difluoromethyl)-6-propan-2-ylpyridazin-3-yl]amino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438551
6-[[4-(3-fluoro-2-methoxyanilino)-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]-3-(2-methoxypropan-2-yl)pyridine-2-carbonitrile
CID 134438553
6-[[4-(3-fluoro-2-methoxyanilino)-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
CID 134438558

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 134438512) is 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one is COc1c(F)cccc1Nc1cc(Cl)nc2[nH]n(C)c(=O)c12.
What is the InChIKey of 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is FTGGBMHLJVPJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O2/c1-20-14(21)11-9(6-10(15)18-13(11)19-20)17-8-5-3-4-7(16)12(8)22-2/h3-6H,1-2H3,(H2,17,18,19).
What are the key properties of 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 322.73 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3-fluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 134438512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).