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

C20H19FN6O2 — CID 134438524

IUPAC4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(F)cccc1Nc1cc(Nc2cc(C)ccn2)nc2[nH]n(C)c(=O)c12
InChIInChI=1S/C20H19FN6O2/c1-11-7-8-22-15(9-11)24-16-10-14(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)
InChIKeyVPZYFSVCRNZPMG-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.60
Rot. Bonds5

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

4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 134438524) 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-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID134438524
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(F)cccc1Nc1cc(Nc2cc(C)ccn2)nc2[nH]n(C)c(=O)c12
InChIInChI=1S/C20H19FN6O2/c1-11-7-8-22-15(9-11)24-16-10-14(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)
InChIKeyVPZYFSVCRNZPMG-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

Bms-986202
CID 155981972
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
6-(cyclopropanecarbonylamino)-4-(5-fluoro-2-methoxy-3-pyrimidin-2-ylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028776
[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10550225
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
CID 10647512
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
CID 10786203
N-(2-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 4298774
4-(2-Methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11301381
4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 75201716

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one (CID 134438524) is 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-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-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one is COc1c(F)cccc1Nc1cc(Nc2cc(C)ccn2)nc2[nH]n(C)c(=O)c12.
What is the InChIKey of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is VPZYFSVCRNZPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-11-7-8-22-15(9-11)24-16-10-14(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-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one?
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(4-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-[(4-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 134438524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).