1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

C21H19FN4O2 — CID 135802769

IUPAC1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1NCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O
InChIInChI=1S/C21H19FN4O2/c1-13-17-11-14(12-23-18-5-3-4-6-19(18)28-2)21(27)24-20(17)26(25-13)16-9-7-15(22)8-10-16/h3-11,23H,12H2,1-2H3,(H,24,27)
InChIKeyVDYSKRKLZGDPAJ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.78
Rot. Bonds5

About 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135802769) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135802769
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1NCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O
InChIInChI=1S/C21H19FN4O2/c1-13-17-11-14(12-23-18-5-3-4-6-19(18)28-2)21(27)24-20(17)26(25-13)16-9-7-15(22)8-10-16/h3-11,23H,12H2,1-2H3,(H,24,27)
InChIKeyVDYSKRKLZGDPAJ-UHFFFAOYSA-N
XLogP3.78
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N'-(2-methoxyphenyl)urea
CID 2811926
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
N-(2-Methoxy-phenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 655913
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
N-(2-methoxy-5-methylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026217
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 16026527
3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 135417936
3-tert-Butyl-5-[(4-ethoxy-phenylamino)-methyl]-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135417951
5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418013
3-tert-Butyl-5-[(3-ethoxy-phenylamino)-methyl]-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135473421
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(2-fluorophenoxy)acetamide
CID 135551724
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352192

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135802769) is 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is COc1ccccc1NCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VDYSKRKLZGDPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-17-11-14(12-23-18-5-3-4-6-19(18)28-2)21(27)24-20(17)26(25-13)16-9-7-15(22)8-10-16/h3-11,23H,12H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 378.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(2-methoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135802769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).