4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one

C20H19FN6O2 — CID 134438526

IUPAC4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(F)cccc1Nc1cc(Nc2ccc(C)cn2)nc2[nH]n(C)c(=O)c12
InChIInChI=1S/C20H19FN6O2/c1-11-7-8-15(22-10-11)24-16-9-14(17-19(25-16)26-27(2)20(17)28)23-13-6-4-5-12(21)18(13)29-3/h4-10H,1-3H3,(H3,22,23,24,25,26)
InChIKeyIRKAFHJLPGGFGK-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.60
Rot. Bonds5

About 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one

4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 134438526) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID134438526
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(F)cccc1Nc1cc(Nc2ccc(C)cn2)nc2[nH]n(C)c(=O)c12
InChIInChI=1S/C20H19FN6O2/c1-11-7-8-15(22-10-11)24-16-9-14(17-19(25-16)26-27(2)20(17)28)23-13-6-4-5-12(21)18(13)29-3/h4-10H,1-3H3,(H3,22,23,24,25,26)
InChIKeyIRKAFHJLPGGFGK-UHFFFAOYSA-N
XLogP3.60
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438497
2-methoxy-3-[[2-methyl-3-oxo-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzonitrile
CID 134438947
N'-[amino(methyl)amino]-2-methoxy-3-[[2-methyl-6-[(1-methylpyrazol-3-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzenecarboximidamide
CID 166647458
N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide
CID 166647436
6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438529
6-[[4-[3-(2,3-dimethyl-1H-tetrazol-5-yl)-2-methoxyanilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-2-carbonitrile
CID 166647439
6-[[4-[2-methoxy-3-(2-methyl-1,5-dihydro-1,2,4-triazol-5-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyrimidine-4-carbonitrile
CID 166992409
2-methyl-4-(2-methylsulfinylanilino)-6-(pyridin-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-3-one
CID 166647393
4-[2-methoxy-4-(methoxymethyl)anilino]-2-methyl-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438774
6-chloro-4-[3-(1H-imidazol-5-yl)-2-methoxyanilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 142329790
N-[4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438611
6-chloro-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438612

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one (CID 134438526) is 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one is COc1c(F)cccc1Nc1cc(Nc2ccc(C)cn2)nc2[nH]n(C)c(=O)c12.
What is the InChIKey of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is IRKAFHJLPGGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-11-7-8-15(22-10-11)24-16-9-14(17-19(25-16)26-27(2)20(17)28)23-13-6-4-5-12(21)18(13)29-3/h4-10H,1-3H3,(H3,22,23,24,25,26).
What are the key properties of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one?
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 394.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 134438526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).