1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine

C14H11F3N4 — CID 141449115

IUPAC1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
SMILESCc1nc2c(cc1F)c(N)nn2Cc1cccc(F)c1F
InChIInChI=1S/C14H11F3N4/c1-7-11(16)5-9-13(18)20-21(14(9)19-7)6-8-3-2-4-10(15)12(8)17/h2-5H,6H2,1H3,(H2,18,20)
InChIKeyMVBSYVKNRZKGSN-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.79
Rot. Bonds2

About 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine

1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine (PubChem CID 141449115) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
PubChem CID141449115
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
SMILESCc1nc2c(cc1F)c(N)nn2Cc1cccc(F)c1F
InChIInChI=1S/C14H11F3N4/c1-7-11(16)5-9-13(18)20-21(14(9)19-7)6-8-3-2-4-10(15)12(8)17/h2-5H,6H2,1H3,(H2,18,20)
InChIKeyMVBSYVKNRZKGSN-UHFFFAOYSA-N
XLogP2.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine 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

ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 144540735
5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449113
3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine
CID 145023261
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637
2-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 63094942
2-[1-[(2,3-difluorophenyl)methyl]-6-methylpyrazolo[3,4-d]pyrimidin-3-yl]-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4,6-diamine
CID 123292046
2-fluoro-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 107347654
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087
1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine
CID 82702759
3,5-dibromo-1-[(2,3-difluorophenyl)methyl]-1,2,4-triazole
CID 50999990
1-[(2,3-difluorophenyl)methyl]pyrazol-3-amine
CID 60783235
5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605153

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine (CID 141449115) is 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine is Cc1nc2c(cc1F)c(N)nn2Cc1cccc(F)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is MVBSYVKNRZKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-7-11(16)5-9-13(18)20-21(14(9)19-7)6-8-3-2-4-10(15)12(8)17/h2-5H,6H2,1H3,(H2,18,20).
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine?
1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 292.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 141449115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).