5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine

C15H15FN4O — CID 141449113

IUPAC5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1ccc(Cn2nc(N)c3cc(F)c(C)nc32)cc1
InChIInChI=1S/C15H15FN4O/c1-9-13(16)7-12-14(17)19-20(15(12)18-9)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H2,17,19)
InChIKeyIFNGIGDWXBVEMQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.52
Rot. Bonds3

About 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine

5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine (PubChem CID 141449113) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine
PubChem CID141449113
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1ccc(Cn2nc(N)c3cc(F)c(C)nc32)cc1
InChIInChI=1S/C15H15FN4O/c1-9-13(16)7-12-14(17)19-20(15(12)18-9)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H2,17,19)
InChIKeyIFNGIGDWXBVEMQ-UHFFFAOYSA-N
XLogP2.52
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449115
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
2-chloro-5-fluoro-3-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]oxyaniline
CID 69192268
6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
CID 43812768
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one
CID 138487436
5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 100766310
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
CID 146288251
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
3-amino-5-anilino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 118956532
3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine
CID 145023261

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine (CID 141449113) is 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine is COc1ccc(Cn2nc(N)c3cc(F)c(C)nc32)cc1.
What is the InChIKey of 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is IFNGIGDWXBVEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-9-13(16)7-12-14(17)19-20(15(12)18-9)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H2,17,19).
What are the key properties of 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine?
5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 286.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 141449113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).